2-tert-butyl-6-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine

C14H24ClN3O — CID 81061412

IUPAC2-tert-butyl-6-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
SMILESCC(C)OCCN(C)c1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C14H24ClN3O/c1-10(2)19-8-7-18(6)12-9-11(15)16-13(17-12)14(3,4)5/h9-10H,7-8H2,1-6H3
InChIKeyWUWZFZPIHNWWCE-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.29
Rot. Bonds5

About 2-tert-butyl-6-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine

2-tert-butyl-6-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine (PubChem CID 81061412) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
PubChem CID81061412
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name2-tert-butyl-6-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
SMILESCC(C)OCCN(C)c1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C14H24ClN3O/c1-10(2)19-8-7-18(6)12-9-11(15)16-13(17-12)14(3,4)5/h9-10H,7-8H2,1-6H3
InChIKeyWUWZFZPIHNWWCE-UHFFFAOYSA-N
XLogP3.29
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine
CID 80953907
2-tert-butyl-6-chloro-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 80951123
2-tert-butyl-6-chloro-N,5-dimethyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 81061593
2-tert-butyl-6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80945319
2-tert-butyl-6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80945315
2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 80953844
4-(chloromethyl)-N-methyl-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 113380762
2-tert-butyl-4-N-(2-methoxyethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80961639
2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine
CID 80953542
N-[(4-bromothiophen-2-yl)methyl]-2-tert-butyl-6-chloro-N-methylpyrimidin-4-amine
CID 80953513
2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine
CID 80949300
2-N-methyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,5-diamine
CID 81067328

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine (CID 81061412) is 2-tert-butyl-6-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine is CC(C)OCCN(C)c1cc(Cl)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
The InChIKey is WUWZFZPIHNWWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-10(2)19-8-7-18(6)12-9-11(15)16-13(17-12)14(3,4)5/h9-10H,7-8H2,1-6H3.
What are the key properties of 2-tert-butyl-6-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
2-tert-butyl-6-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine has a molecular weight of 285.82 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 81061412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).