[2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

C15H24ClN3O — CID 80951232

IUPAC[2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESCC(C)(C)c1nc(Cl)cc(NCC2CCCC2CO)n1
InChIInChI=1S/C15H24ClN3O/c1-15(2,3)14-18-12(16)7-13(19-14)17-8-10-5-4-6-11(10)9-20/h7,10-11,20H,4-6,8-9H2,1-3H3,(H,17,18,19)
InChIKeyMXNGCPCFPMDSFL-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.25
Rot. Bonds4

About [2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

[2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 80951232) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is [2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
PubChem CID80951232
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name[2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESCC(C)(C)c1nc(Cl)cc(NCC2CCCC2CO)n1
InChIInChI=1S/C15H24ClN3O/c1-15(2,3)14-18-12(16)7-13(19-14)17-8-10-5-4-6-11(10)9-20/h7,10-11,20H,4-6,8-9H2,1-3H3,(H,17,18,19)
InChIKeyMXNGCPCFPMDSFL-UHFFFAOYSA-N
XLogP3.25
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol with MolForge

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Related Compounds

2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80950997
[2-[[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentyl]methanol
CID 102716000
[2-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 106772357
2-tert-butyl-6-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 96653247
2-tert-butyl-6-chloro-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80951538
[2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 106775857
2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 80954111
[2-[[(6-amino-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80855981
[2-[[(6-ethoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 66326317
[2-[[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 80959683
4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 106842915
[2-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 107874762

Frequently Asked Questions

What is the IUPAC name of [2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (CID 80951232) is [2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is CC(C)(C)c1nc(Cl)cc(NCC2CCCC2CO)n1.
What is the InChIKey of [2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is MXNGCPCFPMDSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-15(2,3)14-18-12(16)7-13(19-14)17-8-10-5-4-6-11(10)9-20/h7,10-11,20H,4-6,8-9H2,1-3H3,(H,17,18,19).
What are the key properties of [2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
[2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 297.83 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 80951232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).