[4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone

C24H26N4O2 — CID 15428769

IUPAC[4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
SMILESCOc1ccc(-c2c(C)nc(N)nc2C2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H26N4O2/c1-16-21(17-8-10-20(30-2)11-9-17)22(27-24(25)26-16)18-12-14-28(15-13-18)23(29)19-6-4-3-5-7-19/h3-11,18H,12-15H2,1-2H3,(H2,25,26,27)
InChIKeyIFNSDHXVEWUUPZ-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.06
Rot. Bonds4

About [4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone

[4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 15428769) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is [4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
PubChem CID15428769
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name[4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
SMILESCOc1ccc(-c2c(C)nc(N)nc2C2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H26N4O2/c1-16-21(17-8-10-20(30-2)11-9-17)22(27-24(25)26-16)18-12-14-28(15-13-18)23(29)19-6-4-3-5-7-19/h3-11,18H,12-15H2,1-2H3,(H2,25,26,27)
InChIKeyIFNSDHXVEWUUPZ-UHFFFAOYSA-N
XLogP4.06
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone (CID 15428769) is [4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone is COc1ccc(-c2c(C)nc(N)nc2C2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of [4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is IFNSDHXVEWUUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-21(17-8-10-20(30-2)11-9-17)22(27-24(25)26-16)18-12-14-28(15-13-18)23(29)19-6-4-3-5-7-19/h3-11,18H,12-15H2,1-2H3,(H2,25,26,27).
What are the key properties of [4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
[4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 402.50 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 15428769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).