4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine

C15H18ClN5 — CID 112724317

IUPAC4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCN(c3cccc(Cl)c3)CC2)nc(N)n1
InChIInChI=1S/C15H18ClN5/c1-11-9-14(19-15(17)18-11)21-7-5-20(6-8-21)13-4-2-3-12(16)10-13/h2-4,9-10H,5-8H2,1H3,(H2,17,18,19)
InChIKeyCSMIASVDLRCDJI-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.35
Rot. Bonds2

About 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine

4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 112724317) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
PubChem CID112724317
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC Name4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCN(c3cccc(Cl)c3)CC2)nc(N)n1
InChIInChI=1S/C15H18ClN5/c1-11-9-14(19-15(17)18-11)21-7-5-20(6-8-21)13-4-2-3-12(16)10-13/h2-4,9-10H,5-8H2,1H3,(H2,17,18,19)
InChIKeyCSMIASVDLRCDJI-UHFFFAOYSA-N
XLogP2.35
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
CID 112923615
6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine
CID 78988842
4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
CID 80757578
2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 62477783
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 112923605
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970369
1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine
CID 63960873
6-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82555429
4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine
CID 78928279
2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine
CID 104918819
6-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine
CID 3068567

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine (CID 112724317) is 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine is Cc1cc(N2CCN(c3cccc(Cl)c3)CC2)nc(N)n1.
What is the InChIKey of 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is CSMIASVDLRCDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c1-11-9-14(19-15(17)18-11)21-7-5-20(6-8-21)13-4-2-3-12(16)10-13/h2-4,9-10H,5-8H2,1H3,(H2,17,18,19).
What are the key properties of 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 303.80 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112724317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).