4,6-bis(methylamino)-1H-pyrimidin-2-one;ethane

C12H28N4O — CID 144973757

IUPAC4,6-bis(methylamino)-1H-pyrimidin-2-one;ethane
SMILESCC.CC.CC.CNc1cc(NC)[nH]c(=O)n1
InChIInChI=1S/C6H10N4O.3C2H6/c1-7-4-3-5(8-2)10-6(11)9-4;3*1-2/h3H,1-2H3,(H3,7,8,9,10,11);3*1-2H3
InChIKeyAFKARHODCPYICU-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.93
Rot. Bonds2

About 4,6-bis(methylamino)-1H-pyrimidin-2-one;ethane

4,6-bis(methylamino)-1H-pyrimidin-2-one;ethane (PubChem CID 144973757) has the molecular formula C12H28N4O and a molecular weight of 244.38 g/mol. Its IUPAC name is 4,6-bis(methylamino)-1H-pyrimidin-2-one;ethane.

Molecular Properties

Compound Name4,6-bis(methylamino)-1H-pyrimidin-2-one;ethane
PubChem CID144973757
Molecular FormulaC12H28N4O
Molecular Weight244.38 g/mol
Exact Mass244.23
IUPAC Name4,6-bis(methylamino)-1H-pyrimidin-2-one;ethane
SMILESCC.CC.CC.CNc1cc(NC)[nH]c(=O)n1
InChIInChI=1S/C6H10N4O.3C2H6/c1-7-4-3-5(8-2)10-6(11)9-4;3*1-2/h3H,1-2H3,(H3,7,8,9,10,11);3*1-2H3
InChIKeyAFKARHODCPYICU-UHFFFAOYSA-N
XLogP2.93
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(methylamino)-1H-pyrimidin-2-one;ethane?
The IUPAC name of 4,6-bis(methylamino)-1H-pyrimidin-2-one;ethane (CID 144973757) is 4,6-bis(methylamino)-1H-pyrimidin-2-one;ethane.
What is the SMILES notation for 4,6-bis(methylamino)-1H-pyrimidin-2-one;ethane?
The canonical SMILES for 4,6-bis(methylamino)-1H-pyrimidin-2-one;ethane is CC.CC.CC.CNc1cc(NC)[nH]c(=O)n1.
What is the InChIKey of 4,6-bis(methylamino)-1H-pyrimidin-2-one;ethane?
The InChIKey is AFKARHODCPYICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O.3C2H6/c1-7-4-3-5(8-2)10-6(11)9-4;3*1-2/h3H,1-2H3,(H3,7,8,9,10,11);3*1-2H3.
What are the key properties of 4,6-bis(methylamino)-1H-pyrimidin-2-one;ethane?
4,6-bis(methylamino)-1H-pyrimidin-2-one;ethane has a molecular weight of 244.38 g/mol, XLogP of 2.93, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(methylamino)-1H-pyrimidin-2-one;ethane is sourced from PubChem (CID 144973757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).