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

C19H26ClN5 — CID 112908525

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine
SMILESCc1cc(NCC(C)C)nc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C19H26ClN5/c1-14(2)13-21-18-11-15(3)22-19(23-18)25-9-7-24(8-10-25)17-6-4-5-16(20)12-17/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,21,22,23)
InChIKeyFPTISSISOBMFSM-UHFFFAOYSA-N
MW359.91 g/mol
LogP3.83
Rot. Bonds5

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

2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 112908525) has the molecular formula C19H26ClN5 and a molecular weight of 359.91 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine
PubChem CID112908525
Molecular FormulaC19H26ClN5
Molecular Weight359.91 g/mol
Exact Mass359.19
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine
SMILESCc1cc(NCC(C)C)nc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C19H26ClN5/c1-14(2)13-21-18-11-15(3)22-19(23-18)25-9-7-24(8-10-25)17-6-4-5-16(20)12-17/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,21,22,23)
InChIKeyFPTISSISOBMFSM-UHFFFAOYSA-N
XLogP3.83
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.91
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine
CID 112909661
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112923632
[4-(3-chlorophenyl)piperazin-1-yl]-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109320858
furan-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 112908528
1-[4-[4-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915022
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-propyl-1,2,4-triazin-5-amine
CID 112938357
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 112923605
N',N'-dimethyl-N-[6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine
CID 112912809
6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112922264
N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112911741
N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine
CID 112923626
6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112919106

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine (CID 112908525) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine is Cc1cc(NCC(C)C)nc(N2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is FPTISSISOBMFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5/c1-14(2)13-21-18-11-15(3)22-19(23-18)25-9-7-24(8-10-25)17-6-4-5-16(20)12-17/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,21,22,23).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine?
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 359.91 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 112908525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).