(E)-2-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]-3-methyliminoprop-1-en-1-amine

C24H25F2N5O — CID 157044937

IUPAC(E)-2-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=C\N)[C@H]1C[C@@H](c2nc(-c3ccc(F)cc3F)c3cc(C)c(C)nc3n2)CCO1
InChIInChI=1S/C24H25F2N5O/c1-13-8-19-22(18-5-4-17(25)10-20(18)26)30-23(31-24(19)29-14(13)2)15-6-7-32-21(9-15)16(11-27)12-28-3/h4-5,8,10-12,15,21H,6-7,9,27H2,1-3H3/b16-11+,28-12+/t15-,21+/m0/s1
InChIKeyZYFAWVVMVBLEHF-PISJVQMSSA-N
MW437.49 g/mol
LogP4.39
Rot. Bonds4

About (E)-2-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]-3-methyliminoprop-1-en-1-amine

(E)-2-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]-3-methyliminoprop-1-en-1-amine (PubChem CID 157044937) has the molecular formula C24H25F2N5O and a molecular weight of 437.49 g/mol. Its IUPAC name is (E)-2-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]-3-methyliminoprop-1-en-1-amine
PubChem CID157044937
Molecular FormulaC24H25F2N5O
Molecular Weight437.49 g/mol
Exact Mass437.20
IUPAC Name(E)-2-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=C\N)[C@H]1C[C@@H](c2nc(-c3ccc(F)cc3F)c3cc(C)c(C)nc3n2)CCO1
InChIInChI=1S/C24H25F2N5O/c1-13-8-19-22(18-5-4-17(25)10-20(18)26)30-23(31-24(19)29-14(13)2)15-6-7-32-21(9-15)16(11-27)12-28-3/h4-5,8,10-12,15,21H,6-7,9,27H2,1-3H3/b16-11+,28-12+/t15-,21+/m0/s1
InChIKeyZYFAWVVMVBLEHF-PISJVQMSSA-N
XLogP4.39
TPSA86.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-2-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]-3-methyliminoprop-1-en-1-amine with MolForge

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Related Compounds

7-(4-Fluorophenyl)-6-(2-morpholinoethyl)pyrido[2,3-d]pyrimidine-2,4-diamine
CID 3842360
7-(2-fluoro-6-morpholin-4-ylphenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 15983223
5-(4-Fluorophenyl)-7-(2-morpholin-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 54038553
5-(3-Fluorophenyl)-7-(2-morpholin-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 54483392
6-chloro-N-(2-fluoroprop-2-enyl)-5-methyl-2-[3-(1,8-naphthyridin-2-yl)propoxy]pyrimidin-4-amine
CID 56949471
4-(4-Fluorophenyl)-2-(oxan-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 57881271
4-N-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 68261320
(Z)-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-[(3Z)-3-(1-methoxyprop-2-enylidene)-4-pyridinylidene]methanamine
CID 87522740
4-[2-(Butylamino)-5-[(4-fluorophenyl)methylamino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137408992
N-[2-benzyl-4-(difluoromethoxy)cyclohex-2-en-1-yl]pyrido[4,3-d]pyrimidin-4-amine
CID 141626679
7-(2-fluoro-6-morpholin-4-ylphenyl)-N,2-dimethylpyrido[2,3-d]pyrimidin-4-amine
CID 143395568
2-methyl-6-(oxan-4-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyrimidin-4-amine
CID 156286134

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]-3-methyliminoprop-1-en-1-amine?
The IUPAC name of (E)-2-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]-3-methyliminoprop-1-en-1-amine (CID 157044937) is (E)-2-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for (E)-2-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for (E)-2-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]-3-methyliminoprop-1-en-1-amine is C/N=C/C(=C\N)[C@H]1C[C@@H](c2nc(-c3ccc(F)cc3F)c3cc(C)c(C)nc3n2)CCO1.
What is the InChIKey of (E)-2-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]-3-methyliminoprop-1-en-1-amine?
The InChIKey is ZYFAWVVMVBLEHF-PISJVQMSSA-N. The full InChI is InChI=1S/C24H25F2N5O/c1-13-8-19-22(18-5-4-17(25)10-20(18)26)30-23(31-24(19)29-14(13)2)15-6-7-32-21(9-15)16(11-27)12-28-3/h4-5,8,10-12,15,21H,6-7,9,27H2,1-3H3/b16-11+,28-12+/t15-,21+/m0/s1.
What are the key properties of (E)-2-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]-3-methyliminoprop-1-en-1-amine?
(E)-2-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]-3-methyliminoprop-1-en-1-amine has a molecular weight of 437.49 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(2R,4S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]oxan-2-yl]-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 157044937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).