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

C19H26ClN5 — CID 112898366

IUPAC4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine
SMILESCC(C)CCNc1nccc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C19H26ClN5/c1-15(2)6-8-21-19-22-9-7-18(23-19)25-12-10-24(11-13-25)17-5-3-4-16(20)14-17/h3-5,7,9,14-15H,6,8,10-13H2,1-2H3,(H,21,22,23)
InChIKeyUAYISMSMIGHOOD-UHFFFAOYSA-N
MW359.91 g/mol
LogP3.91
Rot. Bonds6

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

4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine (PubChem CID 112898366) has the molecular formula C19H26ClN5 and a molecular weight of 359.91 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine
PubChem CID112898366
Molecular FormulaC19H26ClN5
Molecular Weight359.91 g/mol
Exact Mass359.19
IUPAC Name4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine
SMILESCC(C)CCNc1nccc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C19H26ClN5/c1-15(2)6-8-21-19-22-9-7-18(23-19)25-12-10-24(11-13-25)17-5-3-4-16(20)14-17/h3-5,7,9,14-15H,6,8,10-13H2,1-2H3,(H,21,22,23)
InChIKeyUAYISMSMIGHOOD-UHFFFAOYSA-N
XLogP3.91
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.91
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 112923605
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890706
4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine
CID 112900262
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109174454
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine
CID 112898397
N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112898122
N-[2-(3-chlorophenyl)ethyl]-4-piperidin-1-ylpyrimidin-2-amine
CID 112884508
N-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885130
N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 112887151
N-[2-(3-chlorophenyl)ethyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311741
4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112887479
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883380

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine (CID 112898366) is 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine is CC(C)CCNc1nccc(N2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine?
The InChIKey is UAYISMSMIGHOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5/c1-15(2)6-8-21-19-22-9-7-18(23-19)25-12-10-24(11-13-25)17-5-3-4-16(20)14-17/h3-5,7,9,14-15H,6,8,10-13H2,1-2H3,(H,21,22,23).
What are the key properties of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine?
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine has a molecular weight of 359.91 g/mol, XLogP of 3.91, 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]-N-(3-methylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 112898366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).