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

C14H23N7O — CID 158342375

IUPAC3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]propan-1-ol
SMILESCCCNc1nc(NC)nc2c(CCCO)nc(NC)nc12
InChIInChI=1S/C14H23N7O/c1-4-7-17-12-11-10(19-14(16-3)21-12)9(6-5-8-22)18-13(15-2)20-11/h22H,4-8H2,1-3H3,(H,15,18,20)(H2,16,17,19,21)
InChIKeyGRHVEFASCCLWHV-UHFFFAOYSA-N
MW305.39 g/mol
LogP1.25
Rot. Bonds8

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

3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]propan-1-ol (PubChem CID 158342375) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is 3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]propan-1-ol
PubChem CID158342375
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Name3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]propan-1-ol
SMILESCCCNc1nc(NC)nc2c(CCCO)nc(NC)nc12
InChIInChI=1S/C14H23N7O/c1-4-7-17-12-11-10(19-14(16-3)21-12)9(6-5-8-22)18-13(15-2)20-11/h22H,4-8H2,1-3H3,(H,15,18,20)(H2,16,17,19,21)
InChIKeyGRHVEFASCCLWHV-UHFFFAOYSA-N
XLogP1.25
TPSA107.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

(2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol
CID 158537234
3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol
CID 134520273
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]amino]propan-1-ol;hydrochloride
CID 134520124
2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride
CID 134520366
2-N,8-dibutyl-6-N-ethyl-4-N-methylpyrimido[5,4-d]pyrimidine-2,4,6-triamine
CID 148836551
2-[[4-(2-methoxyethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol
CID 134520330
4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 90456592
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
4-N,8-N-diethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
CID 86295992
2-[[4-(benzylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol
CID 134520409

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]propan-1-ol?
The IUPAC name of 3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]propan-1-ol (CID 158342375) is 3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]propan-1-ol.
What is the SMILES notation for 3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]propan-1-ol?
The canonical SMILES for 3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]propan-1-ol is CCCNc1nc(NC)nc2c(CCCO)nc(NC)nc12.
What is the InChIKey of 3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]propan-1-ol?
The InChIKey is GRHVEFASCCLWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O/c1-4-7-17-12-11-10(19-14(16-3)21-12)9(6-5-8-22)18-13(15-2)20-11/h22H,4-8H2,1-3H3,(H,15,18,20)(H2,16,17,19,21).
What are the key properties of 3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]propan-1-ol?
3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]propan-1-ol has a molecular weight of 305.39 g/mol, XLogP of 1.25, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]propan-1-ol is sourced from PubChem (CID 158342375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).