ethane;1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one

C14H27N3O — CID 155698627

IUPACethane;1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one
SMILESC=C(Nc1ccn(C)c(=O)n1)C(C)C.CC.CC
InChIInChI=1S/C10H15N3O.2C2H6/c1-7(2)8(3)11-9-5-6-13(4)10(14)12-9;2*1-2/h5-7H,3H2,1-2,4H3,(H,11,12,14);2*1-2H3
InChIKeyQCNFMXAXIUKTFY-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.41
Rot. Bonds3

About ethane;1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one

ethane;1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one (PubChem CID 155698627) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is ethane;1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one.

Molecular Properties

Compound Nameethane;1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one
PubChem CID155698627
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Nameethane;1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one
SMILESC=C(Nc1ccn(C)c(=O)n1)C(C)C.CC.CC
InChIInChI=1S/C10H15N3O.2C2H6/c1-7(2)8(3)11-9-5-6-13(4)10(14)12-9;2*1-2/h5-7H,3H2,1-2,4H3,(H,11,12,14);2*1-2H3
InChIKeyQCNFMXAXIUKTFY-UHFFFAOYSA-N
XLogP3.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one?
The IUPAC name of ethane;1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one (CID 155698627) is ethane;1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one.
What is the SMILES notation for ethane;1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one?
The canonical SMILES for ethane;1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one is C=C(Nc1ccn(C)c(=O)n1)C(C)C.CC.CC.
What is the InChIKey of ethane;1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one?
The InChIKey is QCNFMXAXIUKTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.2C2H6/c1-7(2)8(3)11-9-5-6-13(4)10(14)12-9;2*1-2/h5-7H,3H2,1-2,4H3,(H,11,12,14);2*1-2H3.
What are the key properties of ethane;1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one?
ethane;1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one has a molecular weight of 253.39 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(3-methylbut-1-en-2-ylamino)pyrimidin-2-one is sourced from PubChem (CID 155698627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).