6-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one

C14H25N3O — CID 62562375

IUPAC6-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCNC(C)CCC(C)C)cn1
InChIInChI=1S/C14H25N3O/c1-11(2)5-6-12(3)15-7-8-17-10-16-13(4)9-14(17)18/h9-12,15H,5-8H2,1-4H3
InChIKeyGXBBWPNOSRFIFH-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.97
Rot. Bonds7

About 6-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one

6-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one (PubChem CID 62562375) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 6-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one
PubChem CID62562375
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name6-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCNC(C)CCC(C)C)cn1
InChIInChI=1S/C14H25N3O/c1-11(2)5-6-12(3)15-7-8-17-10-16-13(4)9-14(17)18/h9-12,15H,5-8H2,1-4H3
InChIKeyGXBBWPNOSRFIFH-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one (CID 62562375) is 6-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one is Cc1cc(=O)n(CCNC(C)CCC(C)C)cn1.
What is the InChIKey of 6-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one?
The InChIKey is GXBBWPNOSRFIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)5-6-12(3)15-7-8-17-10-16-13(4)9-14(17)18/h9-12,15H,5-8H2,1-4H3.
What are the key properties of 6-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one?
6-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one has a molecular weight of 251.37 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 62562375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).