2-N-tert-butyl-4-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine

C15H19ClN4 — CID 112891673

IUPAC2-N-tert-butyl-4-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
SMILESCC(C)(C)Nc1nccc(NCc2ccccc2Cl)n1
InChIInChI=1S/C15H19ClN4/c1-15(2,3)20-14-17-9-8-13(19-14)18-10-11-6-4-5-7-12(11)16/h4-9H,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyACJUUDOBJSREBY-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.95
Rot. Bonds4

About 2-N-tert-butyl-4-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine

2-N-tert-butyl-4-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112891673) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 2-N-tert-butyl-4-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-4-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112891673
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name2-N-tert-butyl-4-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
SMILESCC(C)(C)Nc1nccc(NCc2ccccc2Cl)n1
InChIInChI=1S/C15H19ClN4/c1-15(2,3)20-14-17-9-8-13(19-14)18-10-11-6-4-5-7-12(11)16/h4-9H,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyACJUUDOBJSREBY-UHFFFAOYSA-N
XLogP3.95
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(2-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80786750
2-N-tert-butyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892144
4-N-[(2-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890674
4-N-[(2-chlorophenyl)methyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112891638
4-N-[(2-chlorophenyl)methyl]-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112891701
2-N-[(2-chlorophenyl)methyl]-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887593
4-N-[(2-chlorophenyl)methyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112891650
2-N-[(2-chlorophenyl)methyl]-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112891792
4-N-(3-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891823
6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80785211
2-N-[(2-chlorophenyl)methyl]-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112891782
4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112891749

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-4-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-4-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine (CID 112891673) is 2-N-tert-butyl-4-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-4-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-4-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine is CC(C)(C)Nc1nccc(NCc2ccccc2Cl)n1.
What is the InChIKey of 2-N-tert-butyl-4-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is ACJUUDOBJSREBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-15(2,3)20-14-17-9-8-13(19-14)18-10-11-6-4-5-7-12(11)16/h4-9H,10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-N-tert-butyl-4-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine?
2-N-tert-butyl-4-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 290.80 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-4-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112891673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).