2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C15H24ClN3O — CID 80950997

IUPAC2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)(C)c1nc(Cl)cc(NCC2CCCCC2O)n1
InChIInChI=1S/C15H24ClN3O/c1-15(2,3)14-18-12(16)8-13(19-14)17-9-10-6-4-5-7-11(10)20/h8,10-11,20H,4-7,9H2,1-3H3,(H,17,18,19)
InChIKeyCDFWLCVRRRTLTC-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.39
Rot. Bonds3

About 2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 80950997) 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]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID80950997
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)(C)c1nc(Cl)cc(NCC2CCCCC2O)n1
InChIInChI=1S/C15H24ClN3O/c1-15(2,3)14-18-12(16)8-13(19-14)17-9-10-6-4-5-7-11(10)20/h8,10-11,20H,4-7,9H2,1-3H3,(H,17,18,19)
InChIKeyCDFWLCVRRRTLTC-UHFFFAOYSA-N
XLogP3.39
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80951232
2-[[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80951072
2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 64911292
2-tert-butyl-6-chloro-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80951538
2-tert-butyl-6-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 96653247
2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 80954111
2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106775780
2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80964097
2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 103886515
2-tert-butyl-6-chloro-N-(1-cyclohexylethyl)pyrimidin-4-amine
CID 80950970
2-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 64912738
2-tert-butyl-6-chloro-N-(dicyclopropylmethyl)pyrimidin-4-amine
CID 80953223

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 80950997) is 2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is CC(C)(C)c1nc(Cl)cc(NCC2CCCCC2O)n1.
What is the InChIKey of 2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is CDFWLCVRRRTLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-15(2,3)14-18-12(16)8-13(19-14)17-9-10-6-4-5-7-11(10)20/h8,10-11,20H,4-7,9H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 297.83 g/mol, XLogP of 3.39, 3 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]cyclohexan-1-ol is sourced from PubChem (CID 80950997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).