(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone

C16H18N4O — CID 96588033

IUPAC(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ncc(C(=O)N2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C16H18N4O/c1-13-17-11-14(12-18-13)16(21)20-9-7-19(8-10-20)15-5-3-2-4-6-15/h2-6,11-12H,7-10H2,1H3
InChIKeyRSODYLWYTWPYTP-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.75
Rot. Bonds2

About (2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone

(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 96588033) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID96588033
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ncc(C(=O)N2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C16H18N4O/c1-13-17-11-14(12-18-13)16(21)20-9-7-19(8-10-20)15-5-3-2-4-6-15/h2-6,11-12H,7-10H2,1H3
InChIKeyRSODYLWYTWPYTP-UHFFFAOYSA-N
XLogP1.75
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
[2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261118
[2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261104
[2-(2,6-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261125
[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249944
(6-bromo-3-pyridinyl)-(4-phenylpiperazin-1-yl)methanone
CID 66464052
[2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109256499
[2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261123
(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone
CID 89084134
[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109255963
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]methanone
CID 109104427

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone (CID 96588033) is (2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1ncc(C(=O)N2CCN(c3ccccc3)CC2)cn1.
What is the InChIKey of (2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is RSODYLWYTWPYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-13-17-11-14(12-18-13)16(21)20-9-7-19(8-10-20)15-5-3-2-4-6-15/h2-6,11-12H,7-10H2,1H3.
What are the key properties of (2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone?
(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 282.35 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 96588033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).