3-methyl-2-[2-(4-methylpiperazine-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one

C20H26N6O3 — CID 59793989

IUPAC3-methyl-2-[2-(4-methylpiperazine-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
SMILESCN1CCN(C(=O)C2CN(c3nc(-c4ccncc4)cc(=O)n3C)CCO2)CC1
InChIInChI=1S/C20H26N6O3/c1-23-7-9-25(10-8-23)19(28)17-14-26(11-12-29-17)20-22-16(13-18(27)24(20)2)15-3-5-21-6-4-15/h3-6,13,17H,7-12,14H2,1-2H3
InChIKeyQHRBBNRQHJWVFO-UHFFFAOYSA-N
MW398.47 g/mol
LogP-0.18
Rot. Bonds3

About 3-methyl-2-[2-(4-methylpiperazine-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one

3-methyl-2-[2-(4-methylpiperazine-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 59793989) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-methyl-2-[2-(4-methylpiperazine-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[2-(4-methylpiperazine-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
PubChem CID59793989
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name3-methyl-2-[2-(4-methylpiperazine-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
SMILESCN1CCN(C(=O)C2CN(c3nc(-c4ccncc4)cc(=O)n3C)CCO2)CC1
InChIInChI=1S/C20H26N6O3/c1-23-7-9-25(10-8-23)19(28)17-14-26(11-12-29-17)20-22-16(13-18(27)24(20)2)15-3-5-21-6-4-15/h3-6,13,17H,7-12,14H2,1-2H3
InChIKeyQHRBBNRQHJWVFO-UHFFFAOYSA-N
XLogP-0.18
TPSA83.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(4-methylpiperazine-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 3-methyl-2-[2-(4-methylpiperazine-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one (CID 59793989) is 3-methyl-2-[2-(4-methylpiperazine-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[2-(4-methylpiperazine-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[2-(4-methylpiperazine-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one is CN1CCN(C(=O)C2CN(c3nc(-c4ccncc4)cc(=O)n3C)CCO2)CC1.
What is the InChIKey of 3-methyl-2-[2-(4-methylpiperazine-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is QHRBBNRQHJWVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-23-7-9-25(10-8-23)19(28)17-14-26(11-12-29-17)20-22-16(13-18(27)24(20)2)15-3-5-21-6-4-15/h3-6,13,17H,7-12,14H2,1-2H3.
What are the key properties of 3-methyl-2-[2-(4-methylpiperazine-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one?
3-methyl-2-[2-(4-methylpiperazine-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 398.47 g/mol, XLogP of -0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(4-methylpiperazine-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 59793989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).