[1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

C14H23N3O — CID 72894203

IUPAC[1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESCC(C)c1cc(NCC2(CO)CCCC2)ncn1
InChIInChI=1S/C14H23N3O/c1-11(2)12-7-13(17-10-16-12)15-8-14(9-18)5-3-4-6-14/h7,10-11,18H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyYDMZHIVNOLBAEM-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.56
Rot. Bonds5

About [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

[1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 72894203) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
PubChem CID72894203
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESCC(C)c1cc(NCC2(CO)CCCC2)ncn1
InChIInChI=1S/C14H23N3O/c1-11(2)12-7-13(17-10-16-12)15-8-14(9-18)5-3-4-6-14/h7,10-11,18H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyYDMZHIVNOLBAEM-UHFFFAOYSA-N
XLogP2.56
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (CID 72894203) is [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is CC(C)c1cc(NCC2(CO)CCCC2)ncn1.
What is the InChIKey of [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is YDMZHIVNOLBAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)12-7-13(17-10-16-12)15-8-14(9-18)5-3-4-6-14/h7,10-11,18H,3-6,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
[1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 249.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 72894203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).