(1R)-2-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]cyclohexan-1-ol

C17H28N8O — CID 134520466

IUPAC(1R)-2-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCCCNc1nc(NC)c2nc(NC3CCCC[C@H]3O)nc(NC)c2n1
InChIInChI=1S/C17H28N8O/c1-4-9-20-16-22-12-13(14(18-2)24-16)23-17(25-15(12)19-3)21-10-7-5-6-8-11(10)26/h10-11,26H,4-9H2,1-3H3,(H2,18,20,22,24)(H2,19,21,23,25)/t10?,11-/m1/s1
InChIKeyNYPZFWJHGHLTIT-RRKGBCIJSA-N
MW360.47 g/mol
LogP2.04
Rot. Bonds7

About (1R)-2-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]cyclohexan-1-ol

(1R)-2-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 134520466) has the molecular formula C17H28N8O and a molecular weight of 360.47 g/mol. Its IUPAC name is (1R)-2-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R)-2-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID134520466
Molecular FormulaC17H28N8O
Molecular Weight360.47 g/mol
Exact Mass360.24
IUPAC Name(1R)-2-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCCCNc1nc(NC)c2nc(NC3CCCC[C@H]3O)nc(NC)c2n1
InChIInChI=1S/C17H28N8O/c1-4-9-20-16-22-12-13(14(18-2)24-16)23-17(25-15(12)19-3)21-10-7-5-6-8-11(10)26/h10-11,26H,4-9H2,1-3H3,(H2,18,20,22,24)(H2,19,21,23,25)/t10?,11-/m1/s1
InChIKeyNYPZFWJHGHLTIT-RRKGBCIJSA-N
XLogP2.04
TPSA119.91 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 52.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (1R)-2-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

(1R)-2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 134520098
4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 90456592
2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80827247
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80800343
3-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propane-1,2-diol;hydrochloride
CID 134520131
trans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol
CID 99857879
2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826651
4-N,8-N-diethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
CID 86295992
[2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368316
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826319
4-N-(2-ethylcyclohexyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80803006
5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
CID 80772251

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of (1R)-2-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 134520466) is (1R)-2-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for (1R)-2-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for (1R)-2-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]cyclohexan-1-ol is CCCNc1nc(NC)c2nc(NC3CCCC[C@H]3O)nc(NC)c2n1.
What is the InChIKey of (1R)-2-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is NYPZFWJHGHLTIT-RRKGBCIJSA-N. The full InChI is InChI=1S/C17H28N8O/c1-4-9-20-16-22-12-13(14(18-2)24-16)23-17(25-15(12)19-3)21-10-7-5-6-8-11(10)26/h10-11,26H,4-9H2,1-3H3,(H2,18,20,22,24)(H2,19,21,23,25)/t10?,11-/m1/s1.
What are the key properties of (1R)-2-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]cyclohexan-1-ol?
(1R)-2-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 360.47 g/mol, XLogP of 2.04, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 134520466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).