2-[[4-(dimethylamino)-2-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol

C13H19N7O — CID 134520169

IUPAC2-[[4-(dimethylamino)-2-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESC=CCNc1nc(N(C)C)c2nc(NCCO)ncc2n1
InChIInChI=1S/C13H19N7O/c1-4-5-14-13-17-9-8-16-12(15-6-7-21)18-10(9)11(19-13)20(2)3/h4,8,21H,1,5-7H2,2-3H3,(H,14,17,19)(H,15,16,18)
InChIKeyIHUZRSVRSPUNBW-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.49
Rot. Bonds7

About 2-[[4-(dimethylamino)-2-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol

2-[[4-(dimethylamino)-2-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol (PubChem CID 134520169) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-2-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-2-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
PubChem CID134520169
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name2-[[4-(dimethylamino)-2-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESC=CCNc1nc(N(C)C)c2nc(NCCO)ncc2n1
InChIInChI=1S/C13H19N7O/c1-4-5-14-13-17-9-8-16-12(15-6-7-21)18-10(9)11(19-13)20(2)3/h4,8,21H,1,5-7H2,2-3H3,(H,14,17,19)(H,15,16,18)
InChIKeyIHUZRSVRSPUNBW-UHFFFAOYSA-N
XLogP0.49
TPSA99.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[4-(dimethylamino)-2-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol with MolForge

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Related Compounds

1-[[4-(dimethylamino)-2-(ethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol
CID 134520106
3-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol;hydrochloride
CID 134520531
1-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]-methylamino]-2-methylpropan-2-ol
CID 134520296
2-[[8-(benzylamino)-4-(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
CID 101170662
3-[[2-chloro-4-(dimethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 134520399
2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 67172901
2-[(9-ethylpurin-2-yl)amino]ethanol
CID 126594159
2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride
CID 134520430
5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
2-[[6-methoxy-4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethanol
CID 59242122
4-N,8-N-dimethyl-2-N,6-N-bis(prop-2-enyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 118864845
5-chloro-N-prop-2-enylpyrimidin-2-amine
CID 79555505

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-2-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The IUPAC name of 2-[[4-(dimethylamino)-2-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol (CID 134520169) is 2-[[4-(dimethylamino)-2-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(dimethylamino)-2-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(dimethylamino)-2-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol is C=CCNc1nc(N(C)C)c2nc(NCCO)ncc2n1.
What is the InChIKey of 2-[[4-(dimethylamino)-2-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The InChIKey is IHUZRSVRSPUNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-4-5-14-13-17-9-8-16-12(15-6-7-21)18-10(9)11(19-13)20(2)3/h4,8,21H,1,5-7H2,2-3H3,(H,14,17,19)(H,15,16,18).
What are the key properties of 2-[[4-(dimethylamino)-2-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
2-[[4-(dimethylamino)-2-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol has a molecular weight of 289.34 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-2-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol is sourced from PubChem (CID 134520169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).