4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine

C15H18ClN5 — CID 80757578

IUPAC4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H18ClN5/c1-11-10-18-15(17)19-14(11)21-7-5-20(6-8-21)13-4-2-3-12(16)9-13/h2-4,9-10H,5-8H2,1H3,(H2,17,18,19)
InChIKeyPLDNMHNAMPOOSW-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.35
Rot. Bonds2

About 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine

4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine (PubChem CID 80757578) 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]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
PubChem CID80757578
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC Name4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H18ClN5/c1-11-10-18-15(17)19-14(11)21-7-5-20(6-8-21)13-4-2-3-12(16)9-13/h2-4,9-10H,5-8H2,1H3,(H2,17,18,19)
InChIKeyPLDNMHNAMPOOSW-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

2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine
CID 79075282
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970369
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317
6-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82555429
4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 79910450
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
CID 19138163
5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
CID 43553966
1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine
CID 105367643
4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine
CID 80756967
4-(2-amino-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80844331
6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine
CID 78988842
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 171334440

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine?
The IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine (CID 80757578) is 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine is Cc1cnc(N)nc1N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine?
The InChIKey is PLDNMHNAMPOOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c1-11-10-18-15(17)19-14(11)21-7-5-20(6-8-21)13-4-2-3-12(16)9-13/h2-4,9-10H,5-8H2,1H3,(H2,17,18,19).
What are the key properties of 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine?
4-[4-(3-chlorophenyl)piperazin-1-yl]-5-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]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80757578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).