2-(4-methoxypiperidin-1-yl)-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,6,8-triamine

C19H32N8O — CID 86298195

IUPAC2-(4-methoxypiperidin-1-yl)-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,6,8-triamine
SMILESCCCNc1nc(N2CCC(OC)CC2)nc2c(NCCC)nc(NC)nc12
InChIInChI=1S/C19H32N8O/c1-5-9-21-16-15-14(23-18(20-3)25-16)17(22-10-6-2)26-19(24-15)27-11-7-13(28-4)8-12-27/h13H,5-12H2,1-4H3,(H,22,24,26)(H2,20,21,23,25)
InChIKeyCGKQHLMLUUQCCQ-UHFFFAOYSA-N
MW388.52 g/mol
LogP2.72
Rot. Bonds9

About 2-(4-methoxypiperidin-1-yl)-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,6,8-triamine

2-(4-methoxypiperidin-1-yl)-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,6,8-triamine (PubChem CID 86298195) has the molecular formula C19H32N8O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-(4-methoxypiperidin-1-yl)-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,6,8-triamine.

Molecular Properties

Compound Name2-(4-methoxypiperidin-1-yl)-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,6,8-triamine
PubChem CID86298195
Molecular FormulaC19H32N8O
Molecular Weight388.52 g/mol
Exact Mass388.27
IUPAC Name2-(4-methoxypiperidin-1-yl)-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,6,8-triamine
SMILESCCCNc1nc(N2CCC(OC)CC2)nc2c(NCCC)nc(NC)nc12
InChIInChI=1S/C19H32N8O/c1-5-9-21-16-15-14(23-18(20-3)25-16)17(22-10-6-2)26-19(24-15)27-11-7-13(28-4)8-12-27/h13H,5-12H2,1-4H3,(H,22,24,26)(H2,20,21,23,25)
InChIKeyCGKQHLMLUUQCCQ-UHFFFAOYSA-N
XLogP2.72
TPSA100.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-(4-methoxypiperidin-1-yl)-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,6,8-triamine with MolForge

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Related Compounds

6-(4-methoxypiperidin-1-yl)-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771750
4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80784615
(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
1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride
CID 134520392
1-[4,8-bis(methylamino)-6-(2-propylhydrazinyl)pyrimido[5,4-d]pyrimidin-2-yl]piperidin-4-one
CID 86298201
5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80782441
[1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757527
4-N,8-N-diethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
CID 86295992
2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxyethanol
CID 82689356
2-N-cyclopropyl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770624
2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine
CID 62869567

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidin-1-yl)-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,6,8-triamine?
The IUPAC name of 2-(4-methoxypiperidin-1-yl)-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,6,8-triamine (CID 86298195) is 2-(4-methoxypiperidin-1-yl)-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,6,8-triamine.
What is the SMILES notation for 2-(4-methoxypiperidin-1-yl)-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,6,8-triamine?
The canonical SMILES for 2-(4-methoxypiperidin-1-yl)-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,6,8-triamine is CCCNc1nc(N2CCC(OC)CC2)nc2c(NCCC)nc(NC)nc12.
What is the InChIKey of 2-(4-methoxypiperidin-1-yl)-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,6,8-triamine?
The InChIKey is CGKQHLMLUUQCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N8O/c1-5-9-21-16-15-14(23-18(20-3)25-16)17(22-10-6-2)26-19(24-15)27-11-7-13(28-4)8-12-27/h13H,5-12H2,1-4H3,(H,22,24,26)(H2,20,21,23,25).
What are the key properties of 2-(4-methoxypiperidin-1-yl)-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,6,8-triamine?
2-(4-methoxypiperidin-1-yl)-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,6,8-triamine has a molecular weight of 388.52 g/mol, XLogP of 2.72, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypiperidin-1-yl)-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,6,8-triamine is sourced from PubChem (CID 86298195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).