5-[3-(3,4-dichlorophenyl)propyl]-6-methylpyrimidine-2,4-diamine

C14H16Cl2N4 — CID 1214927

IUPAC5-[3-(3,4-dichlorophenyl)propyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1CCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N4/c1-8-10(13(17)20-14(18)19-8)4-2-3-9-5-6-11(15)12(16)7-9/h5-7H,2-4H2,1H3,(H4,17,18,19,20)
InChIKeyPOECRTSPCBGKQA-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.43
Rot. Bonds4

About 5-[3-(3,4-dichlorophenyl)propyl]-6-methylpyrimidine-2,4-diamine

5-[3-(3,4-dichlorophenyl)propyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 1214927) has the molecular formula C14H16Cl2N4 and a molecular weight of 311.22 g/mol. Its IUPAC name is 5-[3-(3,4-dichlorophenyl)propyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[3-(3,4-dichlorophenyl)propyl]-6-methylpyrimidine-2,4-diamine
PubChem CID1214927
Molecular FormulaC14H16Cl2N4
Molecular Weight311.22 g/mol
Exact Mass310.08
IUPAC Name5-[3-(3,4-dichlorophenyl)propyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1CCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N4/c1-8-10(13(17)20-14(18)19-8)4-2-3-9-5-6-11(15)12(16)7-9/h5-7H,2-4H2,1H3,(H4,17,18,19,20)
InChIKeyPOECRTSPCBGKQA-UHFFFAOYSA-N
XLogP3.43
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimethamine
CID 4993
Metoprine
CID 24466
Etoprine
CID 29142
Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
5-(4-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 134531
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9974420
5-(3-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10060600
5-(3-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 13926968
6-(2,3-Dichlorophenyl)-N4-methylpyrimidine-2,4-diamine
CID 73441664
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,4-dichlorophenyl)propyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-[3-(3,4-dichlorophenyl)propyl]-6-methylpyrimidine-2,4-diamine (CID 1214927) is 5-[3-(3,4-dichlorophenyl)propyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[3-(3,4-dichlorophenyl)propyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[3-(3,4-dichlorophenyl)propyl]-6-methylpyrimidine-2,4-diamine is Cc1nc(N)nc(N)c1CCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-[3-(3,4-dichlorophenyl)propyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is POECRTSPCBGKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4/c1-8-10(13(17)20-14(18)19-8)4-2-3-9-5-6-11(15)12(16)7-9/h5-7H,2-4H2,1H3,(H4,17,18,19,20).
What are the key properties of 5-[3-(3,4-dichlorophenyl)propyl]-6-methylpyrimidine-2,4-diamine?
5-[3-(3,4-dichlorophenyl)propyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 311.22 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,4-dichlorophenyl)propyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 1214927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).