3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol

C15H24ClN3O — CID 80977886

IUPAC3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N(C)CC1CC(O)C1
InChIInChI=1S/C15H24ClN3O/c1-9-12(16)17-14(15(2,3)4)18-13(9)19(5)8-10-6-11(20)7-10/h10-11,20H,6-8H2,1-5H3
InChIKeySZIDRVHQCVXJHT-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.94
Rot. Bonds3

About 3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol

3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol (PubChem CID 80977886) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
PubChem CID80977886
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N(C)CC1CC(O)C1
InChIInChI=1S/C15H24ClN3O/c1-9-12(16)17-14(15(2,3)4)18-13(9)19(5)8-10-6-11(20)7-10/h10-11,20H,6-8H2,1-5H3
InChIKeySZIDRVHQCVXJHT-UHFFFAOYSA-N
XLogP2.94
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine
CID 80972664
3-[[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 81006464
2-tert-butyl-6-chloro-N,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 80971681
1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80978159
2-tert-butyl-6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine
CID 80977507
2-tert-butyl-6-chloro-N,5-dimethyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 81061593
N-benzyl-2-tert-butyl-6-chloro-N,5-dimethylpyrimidin-4-amine
CID 80973830
2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 81006290
3-[[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol
CID 80993026
2-tert-butyl-4-N,5-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 80984780
3-[[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 81005910
2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972296

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol (CID 80977886) is 3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol is Cc1c(Cl)nc(C(C)(C)C)nc1N(C)CC1CC(O)C1.
What is the InChIKey of 3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is SZIDRVHQCVXJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-9-12(16)17-14(15(2,3)4)18-13(9)19(5)8-10-6-11(20)7-10/h10-11,20H,6-8H2,1-5H3.
What are the key properties of 3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 297.83 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80977886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).