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

C15H26N4O — CID 80809845

IUPAC2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
SMILESCCCNc1cc(N(CCO)C2CCCC2)nc(C)n1
InChIInChI=1S/C15H26N4O/c1-3-8-16-14-11-15(18-12(2)17-14)19(9-10-20)13-6-4-5-7-13/h11,13,20H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyRVMCQIQIQYUQLY-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.35
Rot. Bonds7

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

2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 80809845) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID80809845
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
SMILESCCCNc1cc(N(CCO)C2CCCC2)nc(C)n1
InChIInChI=1S/C15H26N4O/c1-3-8-16-14-11-15(18-12(2)17-14)19(9-10-20)13-6-4-5-7-13/h11,13,20H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyRVMCQIQIQYUQLY-UHFFFAOYSA-N
XLogP2.35
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80787099
2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 102875669
2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol
CID 102875846
2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80811058
2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 55080382
2-[cyclobutyl-[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethanol
CID 102875637
4-N-cyclopentyl-6-N-ethyl-2-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80839121
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875677
4-N-cyclohexyl-4-N,2-diethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939490
2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80960352
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 112867221
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
CID 80962129

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol (CID 80809845) is 2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol is CCCNc1cc(N(CCO)C2CCCC2)nc(C)n1.
What is the InChIKey of 2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is RVMCQIQIQYUQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-8-16-14-11-15(18-12(2)17-14)19(9-10-20)13-6-4-5-7-13/h11,13,20H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol?
2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 278.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 80809845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).