[1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

C11H18N4O — CID 115366395

IUPAC[1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESNc1nccc(NCC2(CO)CCCC2)n1
InChIInChI=1S/C11H18N4O/c12-10-13-6-3-9(15-10)14-7-11(8-16)4-1-2-5-11/h3,6,16H,1-2,4-5,7-8H2,(H3,12,13,14,15)
InChIKeyMVKLCOXIIHUYOR-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.02
Rot. Bonds4

About [1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

[1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 115366395) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is [1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
PubChem CID115366395
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name[1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESNc1nccc(NCC2(CO)CCCC2)n1
InChIInChI=1S/C11H18N4O/c12-10-13-6-3-9(15-10)14-7-11(8-16)4-1-2-5-11/h3,6,16H,1-2,4-5,7-8H2,(H3,12,13,14,15)
InChIKeyMVKLCOXIIHUYOR-UHFFFAOYSA-N
XLogP1.02
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457191
[1-[(pyrazin-2-ylamino)methyl]cyclopentyl]methanol
CID 115360623
[1-[[(6-aminopyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 113359835
[1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968719
3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103235
1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80842262
[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
CID 103965357
[1-[[(8-chloroquinolin-2-yl)amino]methyl]cyclopentyl]methanol
CID 122572355
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpyrimidin-4-amine
CID 103969271
[1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]methanol
CID 103968588
[1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115361870
[1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol
CID 115358035

Frequently Asked Questions

What is the IUPAC name of [1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (CID 115366395) is [1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is Nc1nccc(NCC2(CO)CCCC2)n1.
What is the InChIKey of [1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is MVKLCOXIIHUYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-10-13-6-3-9(15-10)14-7-11(8-16)4-1-2-5-11/h3,6,16H,1-2,4-5,7-8H2,(H3,12,13,14,15).
What are the key properties of [1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
[1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 222.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115366395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).