2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine

C15H24ClN3 — CID 80972664

IUPAC2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N(C)CC1CCC1
InChIInChI=1S/C15H24ClN3/c1-10-12(16)17-14(15(2,3)4)18-13(10)19(5)9-11-7-6-8-11/h11H,6-9H2,1-5H3
InChIKeyWVJYLZKHLKKHGW-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.97
Rot. Bonds3

About 2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine

2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine (PubChem CID 80972664) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine
PubChem CID80972664
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N(C)CC1CCC1
InChIInChI=1S/C15H24ClN3/c1-10-12(16)17-14(15(2,3)4)18-13(10)19(5)9-11-7-6-8-11/h11H,6-9H2,1-5H3
InChIKeyWVJYLZKHLKKHGW-UHFFFAOYSA-N
XLogP3.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80977886
2-tert-butyl-6-chloro-N,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 80971681
2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 81006290
2-tert-butyl-6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine
CID 80977507
1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80978159
N-benzyl-2-tert-butyl-6-chloro-N,5-dimethylpyrimidin-4-amine
CID 80973830
2-tert-butyl-6-chloro-N,5-dimethyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 81061593
4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80825264
4-chloro-N-(cyclobutylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine
CID 62856259
3-[[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 81006464
2-tert-butyl-4-chloro-6-cyclobutyloxy-5-methylpyrimidine
CID 80973288
2-tert-butyl-4-chloro-6-(2-cyclopropylethoxy)-5-methylpyrimidine
CID 106201311

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine (CID 80972664) is 2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)(C)C)nc1N(C)CC1CCC1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is WVJYLZKHLKKHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-10-12(16)17-14(15(2,3)4)18-13(10)19(5)9-11-7-6-8-11/h11H,6-9H2,1-5H3.
What are the key properties of 2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine?
2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 281.83 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80972664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).