4-methyl-N-pentyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine

C20H29N5 — CID 112922177

IUPAC4-methyl-N-pentyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCCCCNc1nc(C)cc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C20H29N5/c1-3-4-8-11-21-20-22-17(2)16-19(23-20)25-14-12-24(13-15-25)18-9-6-5-7-10-18/h5-7,9-10,16H,3-4,8,11-15H2,1-2H3,(H,21,22,23)
InChIKeyJLIVIOYCQLOVAE-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.71
Rot. Bonds7

About 4-methyl-N-pentyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine

4-methyl-N-pentyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112922177) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 4-methyl-N-pentyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-pentyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112922177
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name4-methyl-N-pentyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCCCCNc1nc(C)cc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C20H29N5/c1-3-4-8-11-21-20-22-17(2)16-19(23-20)25-14-12-24(13-15-25)18-9-6-5-7-10-18/h5-7,9-10,16H,3-4,8,11-15H2,1-2H3,(H,21,22,23)
InChIKeyJLIVIOYCQLOVAE-UHFFFAOYSA-N
XLogP3.71
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine
CID 112922173
N-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112908336
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-pentylpyrimidin-2-amine
CID 112920323
4-[2-(butylamino)-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112908286
1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-propylthiourea
CID 100774926
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 112923605
6-methyl-2-N-pentyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112925545
4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 80792256
N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112933620
N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112908361
3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 171327132
2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride
CID 16805641

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pentyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-pentyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine (CID 112922177) is 4-methyl-N-pentyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-pentyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-pentyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine is CCCCCNc1nc(C)cc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 4-methyl-N-pentyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is JLIVIOYCQLOVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-3-4-8-11-21-20-22-17(2)16-19(23-20)25-14-12-24(13-15-25)18-9-6-5-7-10-18/h5-7,9-10,16H,3-4,8,11-15H2,1-2H3,(H,21,22,23).
What are the key properties of 4-methyl-N-pentyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine?
4-methyl-N-pentyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 339.49 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pentyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112922177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).