2-N-(5-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine

C15H19ClN4 — CID 112899106

IUPAC2-N-(5-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ccnc(Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C15H19ClN4/c1-4-20(5-2)14-8-9-17-15(19-14)18-13-10-12(16)7-6-11(13)3/h6-10H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyLRNXVHRIUMYQOL-UHFFFAOYSA-N
MW290.80 g/mol
LogP4.03
Rot. Bonds5

About 2-N-(5-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine

2-N-(5-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine (PubChem CID 112899106) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 2-N-(5-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
PubChem CID112899106
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name2-N-(5-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ccnc(Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C15H19ClN4/c1-4-20(5-2)14-8-9-17-15(19-14)18-13-10-12(16)7-6-11(13)3/h6-10H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyLRNXVHRIUMYQOL-UHFFFAOYSA-N
XLogP4.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899170
2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899159
2-N-(2,3-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899171
2-N-(5-chloro-2-methylphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900369
2-N-(5-chloro-2-methylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882056
2-N-(5-chloro-2-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893742
2-N-(5-chloro-2-methoxyphenyl)-4-N-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 112903920
2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535
N-benzyl-2-(5-chloro-2-methylanilino)-N-ethylpyrimidine-4-carboxamide
CID 109306840
3-[[4-[2-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol
CID 19689540
2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112902549
4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112892059

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(5-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine (CID 112899106) is 2-N-(5-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(5-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(5-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine is CCN(CC)c1ccnc(Nc2cc(Cl)ccc2C)n1.
What is the InChIKey of 2-N-(5-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine?
The InChIKey is LRNXVHRIUMYQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-4-20(5-2)14-8-9-17-15(19-14)18-13-10-12(16)7-6-11(13)3/h6-10H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 2-N-(5-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine?
2-N-(5-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine has a molecular weight of 290.80 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine is sourced from PubChem (CID 112899106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).