N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-(4-methylphenyl)propane-1,3-diamine

C15H19ClN4O — CID 80747253

IUPACN'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-(4-methylphenyl)propane-1,3-diamine
SMILESCOc1ncc(Cl)c(N(CCCN)c2ccc(C)cc2)n1
InChIInChI=1S/C15H19ClN4O/c1-11-4-6-12(7-5-11)20(9-3-8-17)14-13(16)10-18-15(19-14)21-2/h4-7,10H,3,8-9,17H2,1-2H3
InChIKeyCPDGDEAKUGHHQP-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.93
Rot. Bonds6

About N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-(4-methylphenyl)propane-1,3-diamine

N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-(4-methylphenyl)propane-1,3-diamine (PubChem CID 80747253) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-(4-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-(4-methylphenyl)propane-1,3-diamine
PubChem CID80747253
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC NameN'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-(4-methylphenyl)propane-1,3-diamine
SMILESCOc1ncc(Cl)c(N(CCCN)c2ccc(C)cc2)n1
InChIInChI=1S/C15H19ClN4O/c1-11-4-6-12(7-5-11)20(9-3-8-17)14-13(16)10-18-15(19-14)21-2/h4-7,10H,3,8-9,17H2,1-2H3
InChIKeyCPDGDEAKUGHHQP-UHFFFAOYSA-N
XLogP2.93
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Bisanilinopyrimidine, 9k
CID 70702158
5-(4-{[(2-Chloropyridin-4-yl)methyl]amino}phenyl)-6-ethylpyrimidine-2,4-diamine
CID 11537683
4-[[5-Chloro-2-(4-cyanoanilino)pyrimidin-4-yl]amino]-3,5-dimethyl-benzonitrile
CID 486389
Dimethyl{4-[(2-pyridylamino)methyl]phenyl}amine
CID 975588
6-Chloro-N4-(p-tolyl)pyrimidine-4,5-diamine
CID 258602
4-[[5-Chloro-4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile
CID 486391
N2-(4-chlorophenyl)-N4-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 488801
N-(5-chloro-2-pyridinyl)-N'-(4-methylphenyl)urea
CID 6470764
2-(2-Aminoethylamino)-4-(p-tolylamino)pyrimidine-5-carboxamide
CID 12017518
2,4-NH2Pyrimidin,5(4-dimeamino)benzyl
CID 13043080
2,4-Diamino-5-[4-aminobenzyl]pyrimidine
CID 14999833
5-[(2,2,4-trimethyl-1H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine
CID 23323046

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-(4-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-(4-methylphenyl)propane-1,3-diamine (CID 80747253) is N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-(4-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-(4-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-(4-methylphenyl)propane-1,3-diamine is COc1ncc(Cl)c(N(CCCN)c2ccc(C)cc2)n1.
What is the InChIKey of N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-(4-methylphenyl)propane-1,3-diamine?
The InChIKey is CPDGDEAKUGHHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-11-4-6-12(7-5-11)20(9-3-8-17)14-13(16)10-18-15(19-14)21-2/h4-7,10H,3,8-9,17H2,1-2H3.
What are the key properties of N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-(4-methylphenyl)propane-1,3-diamine?
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-(4-methylphenyl)propane-1,3-diamine has a molecular weight of 306.80 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-(4-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 80747253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).