6-methyl-1-[3-[[2-(methylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]amino]propyl]pyridin-2-one

C18H25N5O2 — CID 118772017

IUPAC6-methyl-1-[3-[[2-(methylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]amino]propyl]pyridin-2-one
SMILESCNc1nc(NCCCn2c(C)cccc2=O)cc(C2CCOC2)n1
InChIInChI=1S/C18H25N5O2/c1-13-5-3-6-17(24)23(13)9-4-8-20-16-11-15(14-7-10-25-12-14)21-18(19-2)22-16/h3,5-6,11,14H,4,7-10,12H2,1-2H3,(H2,19,20,21,22)
InChIKeyWCDCRXMWPATEOO-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.99
Rot. Bonds7

About 6-methyl-1-[3-[[2-(methylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]amino]propyl]pyridin-2-one

6-methyl-1-[3-[[2-(methylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]amino]propyl]pyridin-2-one (PubChem CID 118772017) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-methyl-1-[3-[[2-(methylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]amino]propyl]pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-[3-[[2-(methylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]amino]propyl]pyridin-2-one
PubChem CID118772017
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name6-methyl-1-[3-[[2-(methylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]amino]propyl]pyridin-2-one
SMILESCNc1nc(NCCCn2c(C)cccc2=O)cc(C2CCOC2)n1
InChIInChI=1S/C18H25N5O2/c1-13-5-3-6-17(24)23(13)9-4-8-20-16-11-15(14-7-10-25-12-14)21-18(19-2)22-16/h3,5-6,11,14H,4,7-10,12H2,1-2H3,(H2,19,20,21,22)
InChIKeyWCDCRXMWPATEOO-UHFFFAOYSA-N
XLogP1.99
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[3-[[2-(methylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]amino]propyl]pyridin-2-one?
The IUPAC name of 6-methyl-1-[3-[[2-(methylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]amino]propyl]pyridin-2-one (CID 118772017) is 6-methyl-1-[3-[[2-(methylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]amino]propyl]pyridin-2-one.
What is the SMILES notation for 6-methyl-1-[3-[[2-(methylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]amino]propyl]pyridin-2-one?
The canonical SMILES for 6-methyl-1-[3-[[2-(methylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]amino]propyl]pyridin-2-one is CNc1nc(NCCCn2c(C)cccc2=O)cc(C2CCOC2)n1.
What is the InChIKey of 6-methyl-1-[3-[[2-(methylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]amino]propyl]pyridin-2-one?
The InChIKey is WCDCRXMWPATEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-5-3-6-17(24)23(13)9-4-8-20-16-11-15(14-7-10-25-12-14)21-18(19-2)22-16/h3,5-6,11,14H,4,7-10,12H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 6-methyl-1-[3-[[2-(methylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]amino]propyl]pyridin-2-one?
6-methyl-1-[3-[[2-(methylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]amino]propyl]pyridin-2-one has a molecular weight of 343.43 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[3-[[2-(methylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]amino]propyl]pyridin-2-one is sourced from PubChem (CID 118772017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).