(2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol

C15H25N7O — CID 158537234

IUPAC(2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol
SMILESCCCNc1nc(NC)nc2c(C[C@@H](C)CO)nc(NC)nc12
InChIInChI=1S/C15H25N7O/c1-5-6-18-13-12-11(20-15(17-4)22-13)10(7-9(2)8-23)19-14(16-3)21-12/h9,23H,5-8H2,1-4H3,(H,16,19,21)(H2,17,18,20,22)/t9-/m1/s1
InChIKeyHOBYFGMEKURUTL-SECBINFHSA-N
MW319.41 g/mol
LogP1.50
Rot. Bonds8

About (2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol

(2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol (PubChem CID 158537234) has the molecular formula C15H25N7O and a molecular weight of 319.41 g/mol. Its IUPAC name is (2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol
PubChem CID158537234
Molecular FormulaC15H25N7O
Molecular Weight319.41 g/mol
Exact Mass319.21
IUPAC Name(2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol
SMILESCCCNc1nc(NC)nc2c(C[C@@H](C)CO)nc(NC)nc12
InChIInChI=1S/C15H25N7O/c1-5-6-18-13-12-11(20-15(17-4)22-13)10(7-9(2)8-23)19-14(16-3)21-12/h9,23H,5-8H2,1-4H3,(H,16,19,21)(H2,17,18,20,22)/t9-/m1/s1
InChIKeyHOBYFGMEKURUTL-SECBINFHSA-N
XLogP1.50
TPSA107.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]propan-1-ol
CID 158342375
2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride
CID 134520124
1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride
CID 134520392
2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride
CID 134520366
3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol
CID 134520273
4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 90456592
3-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propane-1,2-diol;hydrochloride
CID 134520131
1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol;hydrochloride
CID 134520338
(1R)-2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 134520098
2-[[4-(2-methoxyethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol
CID 134520330
4-N,8-N-diethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
CID 86295992
2-N-[(3,4-dichlorophenyl)methyl]-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 90456696

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol?
The IUPAC name of (2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol (CID 158537234) is (2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol.
What is the SMILES notation for (2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol?
The canonical SMILES for (2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol is CCCNc1nc(NC)nc2c(C[C@@H](C)CO)nc(NC)nc12.
What is the InChIKey of (2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol?
The InChIKey is HOBYFGMEKURUTL-SECBINFHSA-N. The full InChI is InChI=1S/C15H25N7O/c1-5-6-18-13-12-11(20-15(17-4)22-13)10(7-9(2)8-23)19-14(16-3)21-12/h9,23H,5-8H2,1-4H3,(H,16,19,21)(H2,17,18,20,22)/t9-/m1/s1.
What are the key properties of (2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol?
(2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol has a molecular weight of 319.41 g/mol, XLogP of 1.50, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 158537234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).