N-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrimidin-4-amine

C16H20ClN5 — CID 23228004

IUPACN-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(NCN2CCN(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C16H20ClN5/c1-13-18-7-6-16(20-13)19-12-21-8-10-22(11-9-21)15-4-2-14(17)3-5-15/h2-7H,8-12H2,1H3,(H,18,19,20)
InChIKeySDFNMJRXIMTUMW-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.63
Rot. Bonds4

About N-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrimidin-4-amine

N-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrimidin-4-amine (PubChem CID 23228004) has the molecular formula C16H20ClN5 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrimidin-4-amine
PubChem CID23228004
Molecular FormulaC16H20ClN5
Molecular Weight317.82 g/mol
Exact Mass317.14
IUPAC NameN-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(NCN2CCN(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C16H20ClN5/c1-13-18-7-6-16(20-13)19-12-21-8-10-22(11-9-21)15-4-2-14(17)3-5-15/h2-7H,8-12H2,1H3,(H,18,19,20)
InChIKeySDFNMJRXIMTUMW-UHFFFAOYSA-N
XLogP2.63
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrimidin-4-amine (CID 23228004) is N-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrimidin-4-amine is Cc1nccc(NCN2CCN(c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of N-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrimidin-4-amine?
The InChIKey is SDFNMJRXIMTUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5/c1-13-18-7-6-16(20-13)19-12-21-8-10-22(11-9-21)15-4-2-14(17)3-5-15/h2-7H,8-12H2,1H3,(H,18,19,20).
What are the key properties of N-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrimidin-4-amine?
N-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrimidin-4-amine has a molecular weight of 317.82 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 23228004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).