[4-(4-methoxyphenyl)piperazin-1-yl]-[6-(2-methylpropylamino)pyrimidin-4-yl]methanone

C20H27N5O2 — CID 109340279

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-[6-(2-methylpropylamino)pyrimidin-4-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cc(NCC(C)C)ncn3)CC2)cc1
InChIInChI=1S/C20H27N5O2/c1-15(2)13-21-19-12-18(22-14-23-19)20(26)25-10-8-24(9-11-25)16-4-6-17(27-3)7-5-16/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,21,22,23)
InChIKeyGYIZWCQUCBQAJX-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.52
Rot. Bonds6

About [4-(4-methoxyphenyl)piperazin-1-yl]-[6-(2-methylpropylamino)pyrimidin-4-yl]methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-[6-(2-methylpropylamino)pyrimidin-4-yl]methanone (PubChem CID 109340279) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-[6-(2-methylpropylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-[6-(2-methylpropylamino)pyrimidin-4-yl]methanone
PubChem CID109340279
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-[6-(2-methylpropylamino)pyrimidin-4-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cc(NCC(C)C)ncn3)CC2)cc1
InChIInChI=1S/C20H27N5O2/c1-15(2)13-21-19-12-18(22-14-23-19)20(26)25-10-8-24(9-11-25)16-4-6-17(27-3)7-5-16/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,21,22,23)
InChIKeyGYIZWCQUCBQAJX-UHFFFAOYSA-N
XLogP2.52
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze [4-(4-methoxyphenyl)piperazin-1-yl]-[6-(2-methylpropylamino)pyrimidin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346002
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone
CID 109175248
[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341646
[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109362393
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203696
[4-(butylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109202741
[6-(3-methylbutylamino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109352932
N-butan-2-yl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109080205
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 109165116
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147289
[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109203088
N-butan-2-yl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109094649

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[6-(2-methylpropylamino)pyrimidin-4-yl]methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[6-(2-methylpropylamino)pyrimidin-4-yl]methanone (CID 109340279) is [4-(4-methoxyphenyl)piperazin-1-yl]-[6-(2-methylpropylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-[6-(2-methylpropylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-[6-(2-methylpropylamino)pyrimidin-4-yl]methanone is COc1ccc(N2CCN(C(=O)c3cc(NCC(C)C)ncn3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-[6-(2-methylpropylamino)pyrimidin-4-yl]methanone?
The InChIKey is GYIZWCQUCBQAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15(2)13-21-19-12-18(22-14-23-19)20(26)25-10-8-24(9-11-25)16-4-6-17(27-3)7-5-16/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,21,22,23).
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-[6-(2-methylpropylamino)pyrimidin-4-yl]methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-[6-(2-methylpropylamino)pyrimidin-4-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-[6-(2-methylpropylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109340279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).