[1-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol

C15H26N4O — CID 115366345

IUPAC[1-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
SMILESCCc1nc(NC)c(C)c(NCC2(CO)CCCC2)n1
InChIInChI=1S/C15H26N4O/c1-4-12-18-13(16-3)11(2)14(19-12)17-9-15(10-20)7-5-6-8-15/h20H,4-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyIMIHRNIQBRENQQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.35
Rot. Bonds6

About [1-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol

[1-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol (PubChem CID 115366345) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [1-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
PubChem CID115366345
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[1-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
SMILESCCc1nc(NC)c(C)c(NCC2(CO)CCCC2)n1
InChIInChI=1S/C15H26N4O/c1-4-12-18-13(16-3)11(2)14(19-12)17-9-15(10-20)7-5-6-8-15/h20H,4-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyIMIHRNIQBRENQQ-UHFFFAOYSA-N
XLogP2.35
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol (CID 115366345) is [1-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol is CCc1nc(NC)c(C)c(NCC2(CO)CCCC2)n1.
What is the InChIKey of [1-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
The InChIKey is IMIHRNIQBRENQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-12-18-13(16-3)11(2)14(19-12)17-9-15(10-20)7-5-6-8-15/h20H,4-10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of [1-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
[1-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol has a molecular weight of 278.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115366345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).