[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone

C19H25N5O2 — CID 50945971

IUPAC[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCCNc1nc(C)cc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C19H25N5O2/c1-4-20-19-21-14(2)13-17(22-19)23-9-11-24(12-10-23)18(25)15-5-7-16(26-3)8-6-15/h5-8,13H,4,9-12H2,1-3H3,(H,20,21,22)
InChIKeyOTYSBCUZKBHELV-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.19
Rot. Bonds5

About [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 50945971) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID50945971
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCCNc1nc(C)cc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C19H25N5O2/c1-4-20-19-21-14(2)13-17(22-19)23-9-11-24(12-10-23)18(25)15-5-7-16(26-3)8-6-15/h5-8,13H,4,9-12H2,1-3H3,(H,20,21,22)
InChIKeyOTYSBCUZKBHELV-UHFFFAOYSA-N
XLogP2.19
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 50945971) is [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone is CCNc1nc(C)cc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)n1.
What is the InChIKey of [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is OTYSBCUZKBHELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-4-20-19-21-14(2)13-17(22-19)23-9-11-24(12-10-23)18(25)15-5-7-16(26-3)8-6-15/h5-8,13H,4,9-12H2,1-3H3,(H,20,21,22).
What are the key properties of [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 355.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 50945971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).