1-[[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

C12H18ClN3O2 — CID 113401015

IUPAC1-[[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCOCc1nc(Cl)cc(NCC2(O)CCCC2)n1
InChIInChI=1S/C12H18ClN3O2/c1-18-7-11-15-9(13)6-10(16-11)14-8-12(17)4-2-3-5-12/h6,17H,2-5,7-8H2,1H3,(H,14,15,16)
InChIKeyYDXXYZKZOMEVIR-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.99
Rot. Bonds5

About 1-[[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

1-[[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 113401015) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 1-[[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
PubChem CID113401015
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name1-[[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCOCc1nc(Cl)cc(NCC2(O)CCCC2)n1
InChIInChI=1S/C12H18ClN3O2/c1-18-7-11-15-9(13)6-10(16-11)14-8-12(17)4-2-3-5-12/h6,17H,2-5,7-8H2,1H3,(H,14,15,16)
InChIKeyYDXXYZKZOMEVIR-UHFFFAOYSA-N
XLogP1.99
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile
CID 83076259
1-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 113350219
6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine
CID 82463145
3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106178835
1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65109143
1-[[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80941777
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106137286
1-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65121856
3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 114093885
6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82463136
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106162537
6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
CID 114114416

Frequently Asked Questions

What is the IUPAC name of 1-[[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (CID 113401015) is 1-[[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is COCc1nc(Cl)cc(NCC2(O)CCCC2)n1.
What is the InChIKey of 1-[[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is YDXXYZKZOMEVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-18-7-11-15-9(13)6-10(16-11)14-8-12(17)4-2-3-5-12/h6,17H,2-5,7-8H2,1H3,(H,14,15,16).
What are the key properties of 1-[[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
1-[[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 271.75 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 113401015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).