4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine

C20H28ClN5 — CID 112923605

IUPAC4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
SMILESCc1cc(N2CCN(c3cccc(Cl)c3)CC2)nc(NCCC(C)C)n1
InChIInChI=1S/C20H28ClN5/c1-15(2)7-8-22-20-23-16(3)13-19(24-20)26-11-9-25(10-12-26)18-6-4-5-17(21)14-18/h4-6,13-15H,7-12H2,1-3H3,(H,22,23,24)
InChIKeyBYYXXXQRGDDIIM-UHFFFAOYSA-N
MW373.93 g/mol
LogP4.22
Rot. Bonds6

About 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine

4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine (PubChem CID 112923605) has the molecular formula C20H28ClN5 and a molecular weight of 373.93 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
PubChem CID112923605
Molecular FormulaC20H28ClN5
Molecular Weight373.93 g/mol
Exact Mass373.20
IUPAC Name4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
SMILESCc1cc(N2CCN(c3cccc(Cl)c3)CC2)nc(NCCC(C)C)n1
InChIInChI=1S/C20H28ClN5/c1-15(2)7-8-22-20-23-16(3)13-19(24-20)26-11-9-25(10-12-26)18-6-4-5-17(21)14-18/h4-6,13-15H,7-12H2,1-3H3,(H,22,23,24)
InChIKeyBYYXXXQRGDDIIM-UHFFFAOYSA-N
XLogP4.22
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine
CID 112898366
4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913833
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
CID 112923615
4-methyl-N-pentyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112922177
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890706
[4-(3-chlorophenyl)piperazin-1-yl]-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109320858
4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine
CID 112922173
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 112908525
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109174454
4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 112925270
4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 80792256

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine (CID 112923605) is 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine is Cc1cc(N2CCN(c3cccc(Cl)c3)CC2)nc(NCCC(C)C)n1.
What is the InChIKey of 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine?
The InChIKey is BYYXXXQRGDDIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN5/c1-15(2)7-8-22-20-23-16(3)13-19(24-20)26-11-9-25(10-12-26)18-6-4-5-17(21)14-18/h4-6,13-15H,7-12H2,1-3H3,(H,22,23,24).
What are the key properties of 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine?
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine has a molecular weight of 373.93 g/mol, XLogP of 4.22, 6 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-methyl-N-(3-methylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 112923605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).