[4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol

C19H27N7O — CID 10248532

IUPAC[4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol
SMILESOCc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1NC1CCCC1
InChIInChI=1S/C19H27N7O/c27-13-14-11-22-19(25-18(14)23-15-3-1-2-4-15)24-17-6-5-16(12-21-17)26-9-7-20-8-10-26/h5-6,11-12,15,20,27H,1-4,7-10,13H2,(H2,21,22,23,24,25)
InChIKeyPTGWVQRZPDLHGE-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.87
Rot. Bonds6

About [4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol

[4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol (PubChem CID 10248532) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is [4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol
PubChem CID10248532
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name[4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol
SMILESOCc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1NC1CCCC1
InChIInChI=1S/C19H27N7O/c27-13-14-11-22-19(25-18(14)23-15-3-1-2-4-15)24-17-6-5-16(12-21-17)26-9-7-20-8-10-26/h5-6,11-12,15,20,27H,1-4,7-10,13H2,(H2,21,22,23,24,25)
InChIKeyPTGWVQRZPDLHGE-UHFFFAOYSA-N
XLogP1.87
TPSA98.23 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde
CID 10067549
(E)-1-[7-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-6-yl]-2-methylbut-2-en-1-one
CID 163734758
5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 68899926
1-[7-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-6-yl]-3,3,3-trideuteriopropan-1-one
CID 147255708
8-cyclopentyl-6-(hydroxymethyl)-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 22329821
5-[2-(4-fluorophenyl)ethyl]-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 10363176
2-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)acetamide
CID 119260362
4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile
CID 10063148
8-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299868
4-[(4-aminocyclohexyl)amino]-2-(4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
CID 44596071
1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone
CID 130378536
8-cyclopentyl-10-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300068

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol?
The IUPAC name of [4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol (CID 10248532) is [4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol?
The canonical SMILES for [4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol is OCc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1NC1CCCC1.
What is the InChIKey of [4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol?
The InChIKey is PTGWVQRZPDLHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c27-13-14-11-22-19(25-18(14)23-15-3-1-2-4-15)24-17-6-5-16(12-21-17)26-9-7-20-8-10-26/h5-6,11-12,15,20,27H,1-4,7-10,13H2,(H2,21,22,23,24,25).
What are the key properties of [4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol?
[4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol has a molecular weight of 369.47 g/mol, XLogP of 1.87, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol is sourced from PubChem (CID 10248532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).