ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one

C10H19N3O — CID 169237699

IUPACethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one
SMILESCC.CC(C)Nc1cc(=O)n(C)cn1
InChIInChI=1S/C8H13N3O.C2H6/c1-6(2)10-7-4-8(12)11(3)5-9-7;1-2/h4-6,10H,1-3H3;1-2H3
InChIKeyNWPBPNMUTQSPDF-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.63
Rot. Bonds2

About ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one

ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one (PubChem CID 169237699) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one.

Molecular Properties

Compound Nameethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one
PubChem CID169237699
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Nameethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one
SMILESCC.CC(C)Nc1cc(=O)n(C)cn1
InChIInChI=1S/C8H13N3O.C2H6/c1-6(2)10-7-4-8(12)11(3)5-9-7;1-2/h4-6,10H,1-3H3;1-2H3
InChIKeyNWPBPNMUTQSPDF-UHFFFAOYSA-N
XLogP1.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one?
The IUPAC name of ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one (CID 169237699) is ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one.
What is the SMILES notation for ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one?
The canonical SMILES for ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one is CC.CC(C)Nc1cc(=O)n(C)cn1.
What is the InChIKey of ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one?
The InChIKey is NWPBPNMUTQSPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.C2H6/c1-6(2)10-7-4-8(12)11(3)5-9-7;1-2/h4-6,10H,1-3H3;1-2H3.
What are the key properties of ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one?
ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one has a molecular weight of 197.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one is sourced from PubChem (CID 169237699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).