4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine

C15H19ClN4 — CID 80945010

IUPAC4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C15H19ClN4/c1-3-6-13-19-14(17-4-2)10-15(20-13)18-12-8-5-7-11(16)9-12/h5,7-10H,3-4,6H2,1-2H3,(H2,17,18,19,20)
InChIKeyHKMMVSQRMAJOEO-UHFFFAOYSA-N
MW290.80 g/mol
LogP4.26
Rot. Bonds6

About 4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine

4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80945010) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
PubChem CID80945010
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C15H19ClN4/c1-3-6-13-19-14(17-4-2)10-15(20-13)18-12-8-5-7-11(16)9-12/h5,7-10H,3-4,6H2,1-2H3,(H2,17,18,19,20)
InChIKeyHKMMVSQRMAJOEO-UHFFFAOYSA-N
XLogP4.26
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-chlorophenyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80938555
6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine
CID 80938749
4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940121
4-N-(2-bromo-3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 103481880
4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940247
4-N-(3-bromo-4-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80943742
6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80945398
N-(3-ethylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947085
4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80939644
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
4-N-(3,4-dichlorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768233
6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 53418673

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine (CID 80945010) is 4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)cc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is HKMMVSQRMAJOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-3-6-13-19-14(17-4-2)10-15(20-13)18-12-8-5-7-11(16)9-12/h5,7-10H,3-4,6H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 290.80 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80945010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).