[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone

C20H26N6O3 — CID 70671595

IUPAC[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCc1nc(N)nc(N2CCN(C(=O)N3CCOCC3)CC2)c1-c1cccc(O)c1
InChIInChI=1S/C20H26N6O3/c1-14-17(15-3-2-4-16(27)13-15)18(23-19(21)22-14)24-5-7-25(8-6-24)20(28)26-9-11-29-12-10-26/h2-4,13,27H,5-12H2,1H3,(H2,21,22,23)
InChIKeyLDFVOCVWUKFCDB-UHFFFAOYSA-N
MW398.47 g/mol
LogP1.31
Rot. Bonds2

About [4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone

[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 70671595) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is [4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID70671595
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCc1nc(N)nc(N2CCN(C(=O)N3CCOCC3)CC2)c1-c1cccc(O)c1
InChIInChI=1S/C20H26N6O3/c1-14-17(15-3-2-4-16(27)13-15)18(23-19(21)22-14)24-5-7-25(8-6-24)20(28)26-9-11-29-12-10-26/h2-4,13,27H,5-12H2,1H3,(H2,21,22,23)
InChIKeyLDFVOCVWUKFCDB-UHFFFAOYSA-N
XLogP1.31
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone (CID 70671595) is [4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone is Cc1nc(N)nc(N2CCN(C(=O)N3CCOCC3)CC2)c1-c1cccc(O)c1.
What is the InChIKey of [4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is LDFVOCVWUKFCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-14-17(15-3-2-4-16(27)13-15)18(23-19(21)22-14)24-5-7-25(8-6-24)20(28)26-9-11-29-12-10-26/h2-4,13,27H,5-12H2,1H3,(H2,21,22,23).
What are the key properties of [4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone?
[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 398.47 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 70671595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).