2-tert-butyl-4-N-(2-chloro-5-methylphenyl)pyrimidine-4,6-diamine

C15H19ClN4 — CID 107638933

IUPAC2-tert-butyl-4-N-(2-chloro-5-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Cl)c(Nc2cc(N)nc(C(C)(C)C)n2)c1
InChIInChI=1S/C15H19ClN4/c1-9-5-6-10(16)11(7-9)18-13-8-12(17)19-14(20-13)15(2,3)4/h5-8H,1-4H3,(H3,17,18,19,20)
InChIKeyGHVHKAKEZQYNMA-UHFFFAOYSA-N
MW290.80 g/mol
LogP4.06
Rot. Bonds2

About 2-tert-butyl-4-N-(2-chloro-5-methylphenyl)pyrimidine-4,6-diamine

2-tert-butyl-4-N-(2-chloro-5-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 107638933) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(2-chloro-5-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(2-chloro-5-methylphenyl)pyrimidine-4,6-diamine
PubChem CID107638933
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name2-tert-butyl-4-N-(2-chloro-5-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Cl)c(Nc2cc(N)nc(C(C)(C)C)n2)c1
InChIInChI=1S/C15H19ClN4/c1-9-5-6-10(16)11(7-9)18-13-8-12(17)19-14(20-13)15(2,3)4/h5-8H,1-4H3,(H3,17,18,19,20)
InChIKeyGHVHKAKEZQYNMA-UHFFFAOYSA-N
XLogP4.06
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-tert-butyl-N-(2-chloro-5-methylphenyl)pyrimidin-4-amine
CID 107637054
2-tert-butyl-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,6-diamine
CID 80956055
4-N-(2-chloro-5-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 107638886
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-4-chlorobenzonitrile
CID 106772546
3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80947200
4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine
CID 107617678
4-N-(4-bromo-2,5-difluorophenyl)-2-tert-butylpyrimidine-4,6-diamine
CID 107608342
4-N-(2-chloro-5-methylphenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 107638862
4-N-(2-bromo-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 82759241
2-tert-butyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80958392
4-N-(5-bromo-2-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80984109
4-N-(2-chloro-5-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107638910

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(2-chloro-5-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(2-chloro-5-methylphenyl)pyrimidine-4,6-diamine (CID 107638933) is 2-tert-butyl-4-N-(2-chloro-5-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(2-chloro-5-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(2-chloro-5-methylphenyl)pyrimidine-4,6-diamine is Cc1ccc(Cl)c(Nc2cc(N)nc(C(C)(C)C)n2)c1.
What is the InChIKey of 2-tert-butyl-4-N-(2-chloro-5-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is GHVHKAKEZQYNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-9-5-6-10(16)11(7-9)18-13-8-12(17)19-14(20-13)15(2,3)4/h5-8H,1-4H3,(H3,17,18,19,20).
What are the key properties of 2-tert-butyl-4-N-(2-chloro-5-methylphenyl)pyrimidine-4,6-diamine?
2-tert-butyl-4-N-(2-chloro-5-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 290.80 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-(2-chloro-5-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 107638933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).