5-[3-(4-chlorophenyl)butyl]-6-methylpyrimidine-2,4-diamine

C15H19ClN4 — CID 19955527

IUPAC5-[3-(4-chlorophenyl)butyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1CCC(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4/c1-9(11-4-6-12(16)7-5-11)3-8-13-10(2)19-15(18)20-14(13)17/h4-7,9H,3,8H2,1-2H3,(H4,17,18,19,20)
InChIKeyQQILVSYJBFAMFG-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.34
Rot. Bonds4

About 5-[3-(4-chlorophenyl)butyl]-6-methylpyrimidine-2,4-diamine

5-[3-(4-chlorophenyl)butyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 19955527) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 5-[3-(4-chlorophenyl)butyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[3-(4-chlorophenyl)butyl]-6-methylpyrimidine-2,4-diamine
PubChem CID19955527
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name5-[3-(4-chlorophenyl)butyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1CCC(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4/c1-9(11-4-6-12(16)7-5-11)3-8-13-10(2)19-15(18)20-14(13)17/h4-7,9H,3,8H2,1-2H3,(H4,17,18,19,20)
InChIKeyQQILVSYJBFAMFG-UHFFFAOYSA-N
XLogP3.34
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-chlorophenyl)butyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-[3-(4-chlorophenyl)butyl]-6-methylpyrimidine-2,4-diamine (CID 19955527) is 5-[3-(4-chlorophenyl)butyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[3-(4-chlorophenyl)butyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[3-(4-chlorophenyl)butyl]-6-methylpyrimidine-2,4-diamine is Cc1nc(N)nc(N)c1CCC(C)c1ccc(Cl)cc1.
What is the InChIKey of 5-[3-(4-chlorophenyl)butyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is QQILVSYJBFAMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-9(11-4-6-12(16)7-5-11)3-8-13-10(2)19-15(18)20-14(13)17/h4-7,9H,3,8H2,1-2H3,(H4,17,18,19,20).
What are the key properties of 5-[3-(4-chlorophenyl)butyl]-6-methylpyrimidine-2,4-diamine?
5-[3-(4-chlorophenyl)butyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 290.80 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-chlorophenyl)butyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 19955527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).