2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol

C14H24N4O — CID 80811058

IUPAC2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol
SMILESCCCNc1cc(N(CCO)C2CCCC2)ncn1
InChIInChI=1S/C14H24N4O/c1-2-7-15-13-10-14(17-11-16-13)18(8-9-19)12-5-3-4-6-12/h10-12,19H,2-9H2,1H3,(H,15,16,17)
InChIKeyFXWRIRMFIBJBQK-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.04
Rot. Bonds7

About 2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol

2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 80811058) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID80811058
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol
SMILESCCCNc1cc(N(CCO)C2CCCC2)ncn1
InChIInChI=1S/C14H24N4O/c1-2-7-15-13-10-14(17-11-16-13)18(8-9-19)12-5-3-4-6-12/h10-12,19H,2-9H2,1H3,(H,15,16,17)
InChIKeyFXWRIRMFIBJBQK-UHFFFAOYSA-N
XLogP2.04
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810613
4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80839751
2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810817
2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80805676
2-[cyclopentyl-(6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80905074
2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80809845
2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80787099
4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107403068
2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
CID 106973483
4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80799819
4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80808585
N-cyclopropyl-6-hydrazinyl-N-propylpyrimidin-4-amine
CID 80895552

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol (CID 80811058) is 2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol is CCCNc1cc(N(CCO)C2CCCC2)ncn1.
What is the InChIKey of 2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is FXWRIRMFIBJBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-7-15-13-10-14(17-11-16-13)18(8-9-19)12-5-3-4-6-12/h10-12,19H,2-9H2,1H3,(H,15,16,17).
What are the key properties of 2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol?
2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 264.37 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 80811058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).