2-tert-butyl-6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine

C15H24ClN3O — CID 80972600

IUPAC2-tert-butyl-6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1NCC1CCOCC1
InChIInChI=1S/C15H24ClN3O/c1-10-12(16)18-14(15(2,3)4)19-13(10)17-9-11-5-7-20-8-6-11/h11H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyZBPPVAFOPOIRLC-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.57
Rot. Bonds3

About 2-tert-butyl-6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine

2-tert-butyl-6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine (PubChem CID 80972600) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
PubChem CID80972600
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-tert-butyl-6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1NCC1CCOCC1
InChIInChI=1S/C15H24ClN3O/c1-10-12(16)18-14(15(2,3)4)19-13(10)17-9-11-5-7-20-8-6-11/h11H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyZBPPVAFOPOIRLC-UHFFFAOYSA-N
XLogP3.57
TPSA47.04 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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-methylpyrimidin-4-amine
CID 81042385
2-tert-butyl-6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80970078
6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 79557190
4-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81135118
N-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholin-4-amine
CID 83023702
2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80994208
2-tert-butyl-N,5-dimethyl-6-(oxan-4-ylmethoxy)pyrimidin-4-amine
CID 80991354
6-chloro-N-(cyclohexylmethyl)-2,5-dimethylpyrimidin-4-amine
CID 63729418
2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine
CID 103463623
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80983688
2-tert-butyl-4-chloro-5-methyl-6-(oxolan-3-yloxy)pyrimidine
CID 80974231
6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 63728364

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine (CID 80972600) is 2-tert-butyl-6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine is Cc1c(Cl)nc(C(C)(C)C)nc1NCC1CCOCC1.
What is the InChIKey of 2-tert-butyl-6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is ZBPPVAFOPOIRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-10-12(16)18-14(15(2,3)4)19-13(10)17-9-11-5-7-20-8-6-11/h11H,5-9H2,1-4H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine?
2-tert-butyl-6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 297.83 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80972600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).