(2-tert-butyl-6-chloropyrimidin-4-yl)methanamine

C9H14ClN3 — CID 83852104

IUPAC(2-tert-butyl-6-chloropyrimidin-4-yl)methanamine
SMILESCC(C)(C)c1nc(Cl)cc(CN)n1
InChIInChI=1S/C9H14ClN3/c1-9(2,3)8-12-6(5-11)4-7(10)13-8/h4H,5,11H2,1-3H3
InChIKeyPCJRJGQSQJENMD-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.89
Rot. Bonds1

About (2-tert-butyl-6-chloropyrimidin-4-yl)methanamine

(2-tert-butyl-6-chloropyrimidin-4-yl)methanamine (PubChem CID 83852104) has the molecular formula C9H14ClN3 and a molecular weight of 199.68 g/mol. Its IUPAC name is (2-tert-butyl-6-chloropyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(2-tert-butyl-6-chloropyrimidin-4-yl)methanamine
PubChem CID83852104
Molecular FormulaC9H14ClN3
Molecular Weight199.68 g/mol
Exact Mass199.09
IUPAC Name(2-tert-butyl-6-chloropyrimidin-4-yl)methanamine
SMILESCC(C)(C)c1nc(Cl)cc(CN)n1
InChIInChI=1S/C9H14ClN3/c1-9(2,3)8-12-6(5-11)4-7(10)13-8/h4H,5,11H2,1-3H3
InChIKeyPCJRJGQSQJENMD-UHFFFAOYSA-N
XLogP1.89
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-chloro-2-methylpyrimidin-4-yl)methanamine
CID 83480049
(4-chloro-6-ethylpyrimidin-2-yl)methanamine
CID 55262955
4-chloro-6-(chloromethyl)-2-(2-methylsulfanylpropan-2-yl)pyrimidine
CID 130692064
2-tert-butyl-4-chloro-6-ethylsulfanylpyrimidine
CID 80951251
N,2-ditert-butyl-6-chloropyrimidin-4-amine
CID 80948203
2-tert-butyl-4-chloro-6-cyclopropylpyrimidine
CID 63355304
(4,6-dichloro-2-pyridinyl)methanamine;hydrochloride
CID 91667899
N-(2-tert-butyl-6-chloropyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 80949365
2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine
CID 80953907
2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine
CID 80949300
2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80948792
2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine
CID 80953542

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-6-chloropyrimidin-4-yl)methanamine?
The IUPAC name of (2-tert-butyl-6-chloropyrimidin-4-yl)methanamine (CID 83852104) is (2-tert-butyl-6-chloropyrimidin-4-yl)methanamine.
What is the SMILES notation for (2-tert-butyl-6-chloropyrimidin-4-yl)methanamine?
The canonical SMILES for (2-tert-butyl-6-chloropyrimidin-4-yl)methanamine is CC(C)(C)c1nc(Cl)cc(CN)n1.
What is the InChIKey of (2-tert-butyl-6-chloropyrimidin-4-yl)methanamine?
The InChIKey is PCJRJGQSQJENMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-9(2,3)8-12-6(5-11)4-7(10)13-8/h4H,5,11H2,1-3H3.
What are the key properties of (2-tert-butyl-6-chloropyrimidin-4-yl)methanamine?
(2-tert-butyl-6-chloropyrimidin-4-yl)methanamine has a molecular weight of 199.68 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-6-chloropyrimidin-4-yl)methanamine is sourced from PubChem (CID 83852104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).