5-chloro-2-N,4-N-diethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine

C15H19ClN4 — CID 80817817

IUPAC5-chloro-2-N,4-N-diethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(N(CC)c2ccc(C)cc2)n1
InChIInChI=1S/C15H19ClN4/c1-4-17-15-18-10-13(16)14(19-15)20(5-2)12-8-6-11(3)7-9-12/h6-10H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyYBDYLXAGVGNNPR-UHFFFAOYSA-N
MW290.80 g/mol
LogP4.03
Rot. Bonds5

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

5-chloro-2-N,4-N-diethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 80817817) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 5-chloro-2-N,4-N-diethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N,4-N-diethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID80817817
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name5-chloro-2-N,4-N-diethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(N(CC)c2ccc(C)cc2)n1
InChIInChI=1S/C15H19ClN4/c1-4-17-15-18-10-13(16)14(19-15)20(5-2)12-8-6-11(3)7-9-12/h6-10H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyYBDYLXAGVGNNPR-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

5-chloro-4-N-ethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 80755875
6-chloro-2-N,4-N-diethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80817982
5-bromo-2-N,4-N-diethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 80818351
5-chloro-2-N,4-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-2,4-diamine
CID 80799979
5-bromo-N-ethyl-2-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 80908616
5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80808649
5-chloro-2-N-ethyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80795233
2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80764683
2-N,4-N-diethyl-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 80753509
2-N,4-N,4-N-triethyl-5-methylpyrimidine-2,4-diamine
CID 80766610
6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine
CID 115474047
5-chloro-4-N-(2-ethoxyethyl)-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 81067674

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N,4-N-diethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N,4-N-diethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine (CID 80817817) is 5-chloro-2-N,4-N-diethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N,4-N-diethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N,4-N-diethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is CCNc1ncc(Cl)c(N(CC)c2ccc(C)cc2)n1.
What is the InChIKey of 5-chloro-2-N,4-N-diethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is YBDYLXAGVGNNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-4-17-15-18-10-13(16)14(19-15)20(5-2)12-8-6-11(3)7-9-12/h6-10H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 5-chloro-2-N,4-N-diethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine?
5-chloro-2-N,4-N-diethyl-4-N-(4-methylphenyl)pyrimidine-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 5-chloro-2-N,4-N-diethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80817817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).