4-tert-butyl-5-chloro-N-propan-2-ylpyrimidin-2-amine

C11H18ClN3 — CID 159429893

IUPAC4-tert-butyl-5-chloro-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1ncc(Cl)c(C(C)(C)C)n1
InChIInChI=1S/C11H18ClN3/c1-7(2)14-10-13-6-8(12)9(15-10)11(3,4)5/h6-7H,1-5H3,(H,13,14,15)
InChIKeyAQQSMKROAZMZQJ-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.25
Rot. Bonds2

About 4-tert-butyl-5-chloro-N-propan-2-ylpyrimidin-2-amine

4-tert-butyl-5-chloro-N-propan-2-ylpyrimidin-2-amine (PubChem CID 159429893) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 4-tert-butyl-5-chloro-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-5-chloro-N-propan-2-ylpyrimidin-2-amine
PubChem CID159429893
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name4-tert-butyl-5-chloro-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1ncc(Cl)c(C(C)(C)C)n1
InChIInChI=1S/C11H18ClN3/c1-7(2)14-10-13-6-8(12)9(15-10)11(3,4)5/h6-7H,1-5H3,(H,13,14,15)
InChIKeyAQQSMKROAZMZQJ-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-methylpyrimidin-2-amine
CID 12450610
4-(Tert-butyl)-2-chloro-5-fluoropyrimidine
CID 58024955
N,4-ditert-butylpyrimidin-2-amine
CID 12450630
5-Chloro-2,4-diethylpyrimidine
CID 134912842
2,4-Dibutyl-5-chloropyrimidine
CID 139215017
1-[4-[chloro(difluoro)methyl]pyrimidin-5-yl]-N,2-dimethylpropan-1-amine
CID 17829082
4-Tert-butyl-5-fluoropyrimidin-2-amine
CID 58008866
5-Chloro-4-(2-fluorohexan-2-yl)pyrimidine
CID 70181267
5-Chloro-4-(1-fluoroethyl)pyrimidine
CID 117863566
4-Tert-butyl-5-chloro-2-fluoropyrimidine
CID 146377405
5-Chloro-2-fluoro-4-(3-methyloctan-3-yl)pyrimidine
CID 146377409
4-Tert-butyl-5-chloro-6-fluoropyrimidine
CID 146377551

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-chloro-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-tert-butyl-5-chloro-N-propan-2-ylpyrimidin-2-amine (CID 159429893) is 4-tert-butyl-5-chloro-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-tert-butyl-5-chloro-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-tert-butyl-5-chloro-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1ncc(Cl)c(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-5-chloro-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is AQQSMKROAZMZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-7(2)14-10-13-6-8(12)9(15-10)11(3,4)5/h6-7H,1-5H3,(H,13,14,15).
What are the key properties of 4-tert-butyl-5-chloro-N-propan-2-ylpyrimidin-2-amine?
4-tert-butyl-5-chloro-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 227.74 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-chloro-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 159429893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).