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

C19H25N5O2 — CID 56711291

IUPAC[4-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3cc(CCN)nc(C)n3)CC2)cc1
InChIInChI=1S/C19H25N5O2/c1-14-21-16(7-8-20)13-18(22-14)23-9-11-24(12-10-23)19(25)15-3-5-17(26-2)6-4-15/h3-6,13H,7-12,20H2,1-2H3
InChIKeyOGBUHZQMDSKPTA-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.26
Rot. Bonds5

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

[4-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 56711291) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [4-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID56711291
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name[4-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3cc(CCN)nc(C)n3)CC2)cc1
InChIInChI=1S/C19H25N5O2/c1-14-21-16(7-8-20)13-18(22-14)23-9-11-24(12-10-23)19(25)15-3-5-17(26-2)6-4-15/h3-6,13H,7-12,20H2,1-2H3
InChIKeyOGBUHZQMDSKPTA-UHFFFAOYSA-N
XLogP1.26
TPSA84.58 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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 56711291) is [4-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(c3cc(CCN)nc(C)n3)CC2)cc1.
What is the InChIKey of [4-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is OGBUHZQMDSKPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-21-16(7-8-20)13-18(22-14)23-9-11-24(12-10-23)19(25)15-3-5-17(26-2)6-4-15/h3-6,13H,7-12,20H2,1-2H3.
What are the key properties of [4-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 355.44 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 56711291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).