4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine

C14H17ClN4 — CID 112863787

IUPAC4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine
SMILESCC(C)(C)Nc1cc(Nc2ccccc2Cl)ncn1
InChIInChI=1S/C14H17ClN4/c1-14(2,3)19-13-8-12(16-9-17-13)18-11-7-5-4-6-10(11)15/h4-9H,1-3H3,(H2,16,17,18,19)
InChIKeyAOBFKCXKHGYKMZ-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.08
Rot. Bonds3

About 4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine

4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine (PubChem CID 112863787) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine
PubChem CID112863787
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine
SMILESCC(C)(C)Nc1cc(Nc2ccccc2Cl)ncn1
InChIInChI=1S/C14H17ClN4/c1-14(2,3)19-13-8-12(16-9-17-13)18-11-7-5-4-6-10(11)15/h4-9H,1-3H3,(H2,16,17,18,19)
InChIKeyAOBFKCXKHGYKMZ-UHFFFAOYSA-N
XLogP4.08
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112863783
4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine
CID 112865740
4-N-(2-chlorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864012
6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865751
4-N-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861730
6-N-(2-bromo-4-methylphenyl)-4-N-tert-butylpyrimidine-4,6-diamine
CID 112863835
4-N-tert-butyl-6-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112863845
6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine
CID 112858865
4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762667
4-N-tert-butyl-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112863804
4-N-tert-butyl-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine
CID 112863830

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine (CID 112863787) is 4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine is CC(C)(C)Nc1cc(Nc2ccccc2Cl)ncn1.
What is the InChIKey of 4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine?
The InChIKey is AOBFKCXKHGYKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-14(2,3)19-13-8-12(16-9-17-13)18-11-7-5-4-6-10(11)15/h4-9H,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine?
4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine has a molecular weight of 276.77 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112863787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).