2-tert-butyl-6-chloro-N,5-dimethyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine

C15H26ClN3O — CID 81061593

IUPAC2-tert-butyl-6-chloro-N,5-dimethyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N(C)CCOC(C)C
InChIInChI=1S/C15H26ClN3O/c1-10(2)20-9-8-19(7)13-11(3)12(16)17-14(18-13)15(4,5)6/h10H,8-9H2,1-7H3
InChIKeyHEAGXKYCEPRGGU-UHFFFAOYSA-N
MW299.85 g/mol
LogP3.60
Rot. Bonds5

About 2-tert-butyl-6-chloro-N,5-dimethyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine

2-tert-butyl-6-chloro-N,5-dimethyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine (PubChem CID 81061593) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N,5-dimethyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N,5-dimethyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
PubChem CID81061593
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name2-tert-butyl-6-chloro-N,5-dimethyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N(C)CCOC(C)C
InChIInChI=1S/C15H26ClN3O/c1-10(2)20-9-8-19(7)13-11(3)12(16)17-14(18-13)15(4,5)6/h10H,8-9H2,1-7H3
InChIKeyHEAGXKYCEPRGGU-UHFFFAOYSA-N
XLogP3.60
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 81061412
1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80978159
6-chloro-N,4,5-trimethyl-N-(2-propan-2-yloxyethyl)pyridazin-3-amine
CID 81061968
2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972296
N-benzyl-2-tert-butyl-6-chloro-N,5-dimethylpyrimidin-4-amine
CID 80973830
2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine
CID 80972664
3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80971580
3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80977886
4-N,6-N,2,5-tetramethyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81067453
4-N,5-dimethyl-2-propan-2-yl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81068833
2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80983794
6-chloro-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,5-diamine
CID 81059374

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N,5-dimethyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N,5-dimethyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine (CID 81061593) is 2-tert-butyl-6-chloro-N,5-dimethyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N,5-dimethyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N,5-dimethyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine is Cc1c(Cl)nc(C(C)(C)C)nc1N(C)CCOC(C)C.
What is the InChIKey of 2-tert-butyl-6-chloro-N,5-dimethyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
The InChIKey is HEAGXKYCEPRGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-10(2)20-9-8-19(7)13-11(3)12(16)17-14(18-13)15(4,5)6/h10H,8-9H2,1-7H3.
What are the key properties of 2-tert-butyl-6-chloro-N,5-dimethyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
2-tert-butyl-6-chloro-N,5-dimethyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine has a molecular weight of 299.85 g/mol, XLogP of 3.60, 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,5-dimethyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 81061593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).