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

C16H21ClN4 — CID 112897132

IUPAC4-N-tert-butyl-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESCC(C)(C)Nc1ccnc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H21ClN4/c1-16(2,3)21-14-9-11-19-15(20-14)18-10-8-12-4-6-13(17)7-5-12/h4-7,9,11H,8,10H2,1-3H3,(H2,18,19,20,21)
InChIKeyUJTLQVAMBNLIAG-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.99
Rot. Bonds5

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

4-N-tert-butyl-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 112897132) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID112897132
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC Name4-N-tert-butyl-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESCC(C)(C)Nc1ccnc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H21ClN4/c1-16(2,3)21-14-9-11-19-15(20-14)18-10-8-12-4-6-13(17)7-5-12/h4-7,9,11H,8,10H2,1-3H3,(H2,18,19,20,21)
InChIKeyUJTLQVAMBNLIAG-UHFFFAOYSA-N
XLogP3.99
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[2-(4-chlorophenyl)ethyl]-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887000
2-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropylpyrimidine-2,4-diamine
CID 112882257
2-N-tert-butyl-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894693
4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891261
4-N-tert-butyl-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895252
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891919
4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897039
2-(tert-butylamino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109309788
4-N-[2-(4-chlorophenyl)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112897068
4-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887176
N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883847
2-N-butyl-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112883014

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-tert-butyl-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine (CID 112897132) is 4-N-tert-butyl-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-tert-butyl-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine is CC(C)(C)Nc1ccnc(NCCc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-N-tert-butyl-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is UJTLQVAMBNLIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-16(2,3)21-14-9-11-19-15(20-14)18-10-8-12-4-6-13(17)7-5-12/h4-7,9,11H,8,10H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-tert-butyl-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine?
4-N-tert-butyl-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 304.82 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112897132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).