(Z)-2-[amino(cyclopropyl)amino]-1-[1-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]pyrrolidin-3-yl]ethenamine;methanol

C24H30F2N8O — CID 177137153

IUPAC(Z)-2-[amino(cyclopropyl)amino]-1-[1-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]pyrrolidin-3-yl]ethenamine;methanol
SMILESCO.Cc1nc2nc(N3CCC(/C(N)=C/N(N)C4CC4)C3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C23H26F2N8.CH4O/c1-12-13(2)29-22-21(28-12)20(17-6-3-15(24)9-18(17)25)30-23(31-22)32-8-7-14(10-32)19(26)11-33(27)16-4-5-16;1-2/h3,6,9,11,14,16H,4-5,7-8,10,26-27H2,1-2H3;2H,1H3/b19-11-;
InChIKeyRKJXDHCTACDQDE-XHFAFUTOSA-N
MW484.56 g/mol
LogP2.55
Rot. Bonds5

About (Z)-2-[amino(cyclopropyl)amino]-1-[1-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]pyrrolidin-3-yl]ethenamine;methanol

(Z)-2-[amino(cyclopropyl)amino]-1-[1-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]pyrrolidin-3-yl]ethenamine;methanol (PubChem CID 177137153) has the molecular formula C24H30F2N8O and a molecular weight of 484.56 g/mol. Its IUPAC name is (Z)-2-[amino(cyclopropyl)amino]-1-[1-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]pyrrolidin-3-yl]ethenamine;methanol.

Molecular Properties

Compound Name(Z)-2-[amino(cyclopropyl)amino]-1-[1-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]pyrrolidin-3-yl]ethenamine;methanol
PubChem CID177137153
Molecular FormulaC24H30F2N8O
Molecular Weight484.56 g/mol
Exact Mass484.25
IUPAC Name(Z)-2-[amino(cyclopropyl)amino]-1-[1-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]pyrrolidin-3-yl]ethenamine;methanol
SMILESCO.Cc1nc2nc(N3CCC(/C(N)=C/N(N)C4CC4)C3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C23H26F2N8.CH4O/c1-12-13(2)29-22-21(28-12)20(17-6-3-15(24)9-18(17)25)30-23(31-22)32-8-7-14(10-32)19(26)11-33(27)16-4-5-16;1-2/h3,6,9,11,14,16H,4-5,7-8,10,26-27H2,1-2H3;2H,1H3/b19-11-;
InChIKeyRKJXDHCTACDQDE-XHFAFUTOSA-N
XLogP2.55
TPSA130.31 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-2-[amino(cyclopropyl)amino]-1-[1-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]pyrrolidin-3-yl]ethenamine;methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane
CID 166122258
azetidine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine
CID 166121345
(R)-(1-cyclopropylpyrazol-4-yl)-[(2R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]morpholin-2-yl]methanol
CID 166121533
4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine;1-(oxetan-3-ylmethyl)pyrazole
CID 166121288
(2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine
CID 166121706
4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperidin-1-yl]-6,7-dimethylpteridine
CID 166834602
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine
CID 166122956
benzyl 3-[(2R,6R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-6-methylmorpholin-2-yl]azetidine-1-carboxylate
CID 166121613
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]morpholine;(Z)-3-cyclopropyliminoprop-1-en-1-amine
CID 157044637
4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine
CID 157044679
2-cyclopropyl-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-6-[1-(methoxymethyl)pyrazol-4-yl]morpholine
CID 166121294
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6,7-bis(trideuteriomethyl)pteridin-2-yl]-6-methylmorpholine
CID 166121864

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino(cyclopropyl)amino]-1-[1-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]pyrrolidin-3-yl]ethenamine;methanol?
The IUPAC name of (Z)-2-[amino(cyclopropyl)amino]-1-[1-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]pyrrolidin-3-yl]ethenamine;methanol (CID 177137153) is (Z)-2-[amino(cyclopropyl)amino]-1-[1-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]pyrrolidin-3-yl]ethenamine;methanol.
What is the SMILES notation for (Z)-2-[amino(cyclopropyl)amino]-1-[1-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]pyrrolidin-3-yl]ethenamine;methanol?
The canonical SMILES for (Z)-2-[amino(cyclopropyl)amino]-1-[1-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]pyrrolidin-3-yl]ethenamine;methanol is CO.Cc1nc2nc(N3CCC(/C(N)=C/N(N)C4CC4)C3)nc(-c3ccc(F)cc3F)c2nc1C.
What is the InChIKey of (Z)-2-[amino(cyclopropyl)amino]-1-[1-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]pyrrolidin-3-yl]ethenamine;methanol?
The InChIKey is RKJXDHCTACDQDE-XHFAFUTOSA-N. The full InChI is InChI=1S/C23H26F2N8.CH4O/c1-12-13(2)29-22-21(28-12)20(17-6-3-15(24)9-18(17)25)30-23(31-22)32-8-7-14(10-32)19(26)11-33(27)16-4-5-16;1-2/h3,6,9,11,14,16H,4-5,7-8,10,26-27H2,1-2H3;2H,1H3/b19-11-;.
What are the key properties of (Z)-2-[amino(cyclopropyl)amino]-1-[1-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]pyrrolidin-3-yl]ethenamine;methanol?
(Z)-2-[amino(cyclopropyl)amino]-1-[1-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]pyrrolidin-3-yl]ethenamine;methanol has a molecular weight of 484.56 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino(cyclopropyl)amino]-1-[1-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]pyrrolidin-3-yl]ethenamine;methanol is sourced from PubChem (CID 177137153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).