4-N-(2-chloro-5-methoxyphenyl)-6-N-propylpyrimidine-2,4,6-triamine

C14H18ClN5O — CID 80791494

IUPAC4-N-(2-chloro-5-methoxyphenyl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(Nc2cc(OC)ccc2Cl)nc(N)n1
InChIInChI=1S/C14H18ClN5O/c1-3-6-17-12-8-13(20-14(16)19-12)18-11-7-9(21-2)4-5-10(11)15/h4-5,7-8H,3,6H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyHTGQPQFIAYILSA-UHFFFAOYSA-N
MW307.79 g/mol
LogP3.29
Rot. Bonds6

About 4-N-(2-chloro-5-methoxyphenyl)-6-N-propylpyrimidine-2,4,6-triamine

4-N-(2-chloro-5-methoxyphenyl)-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80791494) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 4-N-(2-chloro-5-methoxyphenyl)-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2-chloro-5-methoxyphenyl)-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80791494
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name4-N-(2-chloro-5-methoxyphenyl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(Nc2cc(OC)ccc2Cl)nc(N)n1
InChIInChI=1S/C14H18ClN5O/c1-3-6-17-12-8-13(20-14(16)19-12)18-11-7-9(21-2)4-5-10(11)15/h4-5,7-8H,3,6H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyHTGQPQFIAYILSA-UHFFFAOYSA-N
XLogP3.29
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80755241
4-N-(2-chloro-5-methoxyphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80791950
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine
CID 80935640
6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80814732
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 55079735
4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
CID 80814894
4-N-(2-chloro-5-methylphenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 107638862
4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80787761
4-N-(4-chloro-3-methoxyphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 107623596
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80760760
4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80955833
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-5-methoxyphenyl)-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(2-chloro-5-methoxyphenyl)-6-N-propylpyrimidine-2,4,6-triamine (CID 80791494) is 4-N-(2-chloro-5-methoxyphenyl)-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2-chloro-5-methoxyphenyl)-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(2-chloro-5-methoxyphenyl)-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(Nc2cc(OC)ccc2Cl)nc(N)n1.
What is the InChIKey of 4-N-(2-chloro-5-methoxyphenyl)-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is HTGQPQFIAYILSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-3-6-17-12-8-13(20-14(16)19-12)18-11-7-9(21-2)4-5-10(11)15/h4-5,7-8H,3,6H2,1-2H3,(H4,16,17,18,19,20).
What are the key properties of 4-N-(2-chloro-5-methoxyphenyl)-6-N-propylpyrimidine-2,4,6-triamine?
4-N-(2-chloro-5-methoxyphenyl)-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 307.79 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-5-methoxyphenyl)-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80791494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).