(3-methoxyphenyl)-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]methanone

C20H26N4O3 — CID 42065406

IUPAC(3-methoxyphenyl)-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)c1
InChIInChI=1S/C20H26N4O3/c1-14(2)27-19-13-18(21-15(3)22-19)23-8-10-24(11-9-23)20(25)16-6-5-7-17(12-16)26-4/h5-7,12-14H,8-11H2,1-4H3
InChIKeyNTPPCLPSRJSBGL-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.54
Rot. Bonds5

About (3-methoxyphenyl)-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]methanone

(3-methoxyphenyl)-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 42065406) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (3-methoxyphenyl)-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID42065406
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(3-methoxyphenyl)-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)c1
InChIInChI=1S/C20H26N4O3/c1-14(2)27-19-13-18(21-15(3)22-19)23-8-10-24(11-9-23)20(25)16-6-5-7-17(12-16)26-4/h5-7,12-14H,8-11H2,1-4H3
InChIKeyNTPPCLPSRJSBGL-UHFFFAOYSA-N
XLogP2.54
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-fluorophenoxy)phenyl]-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332411
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 50944512
3-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile
CID 122332318
(3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473262
(4-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473413
[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 42473390
(3-methoxyphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755288
(3-methoxyphenyl)-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 86797191
(3-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 121031903
4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide
CID 42473670
(3,5-dimethoxyphenyl)-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122340967
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 122332371

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]methanone (CID 42065406) is (3-methoxyphenyl)-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]methanone is COc1cccc(C(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)c1.
What is the InChIKey of (3-methoxyphenyl)-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is NTPPCLPSRJSBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14(2)27-19-13-18(21-15(3)22-19)23-8-10-24(11-9-23)20(25)16-6-5-7-17(12-16)26-4/h5-7,12-14H,8-11H2,1-4H3.
What are the key properties of (3-methoxyphenyl)-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]methanone?
(3-methoxyphenyl)-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 370.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 42065406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).