4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine

C21H31N7 — CID 70648003

IUPAC4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine
SMILESCN1CCN(Cc2ccc(Nc3ncc(N)c(NC4CCCC4)n3)cc2)CC1
InChIInChI=1S/C21H31N7/c1-27-10-12-28(13-11-27)15-16-6-8-18(9-7-16)25-21-23-14-19(22)20(26-21)24-17-4-2-3-5-17/h6-9,14,17H,2-5,10-13,15,22H2,1H3,(H2,23,24,25,26)
InChIKeyAZLSKKXIGPKKMP-UHFFFAOYSA-N
MW381.53 g/mol
LogP2.90
Rot. Bonds6

About 4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine

4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine (PubChem CID 70648003) has the molecular formula C21H31N7 and a molecular weight of 381.53 g/mol. Its IUPAC name is 4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine
PubChem CID70648003
Molecular FormulaC21H31N7
Molecular Weight381.53 g/mol
Exact Mass381.26
IUPAC Name4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine
SMILESCN1CCN(Cc2ccc(Nc3ncc(N)c(NC4CCCC4)n3)cc2)CC1
InChIInChI=1S/C21H31N7/c1-27-10-12-28(13-11-27)15-16-6-8-18(9-7-16)25-21-23-14-19(22)20(26-21)24-17-4-2-3-5-17/h6-9,14,17H,2-5,10-13,15,22H2,1H3,(H2,23,24,25,26)
InChIKeyAZLSKKXIGPKKMP-UHFFFAOYSA-N
XLogP2.90
TPSA82.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine with MolForge

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Related Compounds

4-N-cyclopentyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4,5-triamine
CID 70647980
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine
CID 58786809
1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine
CID 43684534
N-[2-[2-[4-[[4-[(4-hydroxycyclohexyl)amino]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]amino]phenyl]ethynyl]-4-pyridinyl]cyclohexanecarboxamide
CID 140928123
4-(cyclobutylamino)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 58014961
4-(cyclobutylamino)-N-(2,6-dimethylphenyl)-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidine-5-carboxamide
CID 169088857
butyl N-[1-[4-[[5-amino-4-(cyclopentylamino)pyrimidin-2-yl]amino]phenyl]pyrrolidin-3-yl]carbamate
CID 142050215
5-chloro-4-N-[2-(dimethylaminosulfanyl)phenyl]-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine
CID 155582828
2-methyl-2-[4-[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]propanenitrile
CID 66576870
1-cyclohexyl-N-[4-[[4-(2-nitrosoethyl)piperazin-1-yl]methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 143984675
(E)-3-[4-(cyclohexylamino)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]prop-2-enenitrile
CID 90466629
4-[[2-(4-iodoanilino)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 144944286

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine?
The IUPAC name of 4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine (CID 70648003) is 4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine.
What is the SMILES notation for 4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine?
The canonical SMILES for 4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine is CN1CCN(Cc2ccc(Nc3ncc(N)c(NC4CCCC4)n3)cc2)CC1.
What is the InChIKey of 4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine?
The InChIKey is AZLSKKXIGPKKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7/c1-27-10-12-28(13-11-27)15-16-6-8-18(9-7-16)25-21-23-14-19(22)20(26-21)24-17-4-2-3-5-17/h6-9,14,17H,2-5,10-13,15,22H2,1H3,(H2,23,24,25,26).
What are the key properties of 4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine?
4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine has a molecular weight of 381.53 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine is sourced from PubChem (CID 70648003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).