[1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

C11H16ClN3O — CID 115361870

IUPAC[1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESOCC1(CNc2cc(Cl)ncn2)CCCC1
InChIInChI=1S/C11H16ClN3O/c12-9-5-10(15-8-14-9)13-6-11(7-16)3-1-2-4-11/h5,8,16H,1-4,6-7H2,(H,13,14,15)
InChIKeyXJPLGYUQVJAZEX-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.09
Rot. Bonds4

About [1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

[1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 115361870) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is [1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
PubChem CID115361870
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name[1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESOCC1(CNc2cc(Cl)ncn2)CCCC1
InChIInChI=1S/C11H16ClN3O/c12-9-5-10(15-8-14-9)13-6-11(7-16)3-1-2-4-11/h5,8,16H,1-4,6-7H2,(H,13,14,15)
InChIKeyXJPLGYUQVJAZEX-UHFFFAOYSA-N
XLogP2.09
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[[6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 103968726
[1-[[(6-aminopyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 113359835
[1-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103967277
[1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 112697562
[1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115360640
[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457224
6-chloro-N-[[1-(dimethylamino)cyclopropyl]methyl]pyrimidin-4-amine
CID 130791788
N-[[1-(chloromethyl)cyclopentyl]methyl]-6-ethoxypyrimidin-4-amine
CID 113294686
[1-[(pyrazin-2-ylamino)methyl]cyclopentyl]methanol
CID 115360623
N-[(1-ethylcyclopentyl)methyl]-6-methylpyrimidin-4-amine
CID 103764979
2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride
CID 134263966
N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxypyrimidin-4-amine
CID 115363649

Frequently Asked Questions

What is the IUPAC name of [1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (CID 115361870) is [1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is OCC1(CNc2cc(Cl)ncn2)CCCC1.
What is the InChIKey of [1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is XJPLGYUQVJAZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-9-5-10(15-8-14-9)13-6-11(7-16)3-1-2-4-11/h5,8,16H,1-4,6-7H2,(H,13,14,15).
What are the key properties of [1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
[1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 241.72 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115361870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).