5-amino-4-[ethenyl(propan-2-yl)amino]-1H-pyrimidin-6-one

C9H14N4O — CID 137308044

IUPAC5-amino-4-[ethenyl(propan-2-yl)amino]-1H-pyrimidin-6-one
SMILESC=CN(c1nc[nH]c(=O)c1N)C(C)C
InChIInChI=1S/C9H14N4O/c1-4-13(6(2)3)8-7(10)9(14)12-5-11-8/h4-6H,1,10H2,2-3H3,(H,11,12,14)
InChIKeySFJKDNCCBPUOTH-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.71
Rot. Bonds3

About 5-amino-4-[ethenyl(propan-2-yl)amino]-1H-pyrimidin-6-one

5-amino-4-[ethenyl(propan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 137308044) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 5-amino-4-[ethenyl(propan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[ethenyl(propan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID137308044
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name5-amino-4-[ethenyl(propan-2-yl)amino]-1H-pyrimidin-6-one
SMILESC=CN(c1nc[nH]c(=O)c1N)C(C)C
InChIInChI=1S/C9H14N4O/c1-4-13(6(2)3)8-7(10)9(14)12-5-11-8/h4-6H,1,10H2,2-3H3,(H,11,12,14)
InChIKeySFJKDNCCBPUOTH-UHFFFAOYSA-N
XLogP0.71
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[ethenyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[ethenyl(propan-2-yl)amino]-1H-pyrimidin-6-one (CID 137308044) is 5-amino-4-[ethenyl(propan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[ethenyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[ethenyl(propan-2-yl)amino]-1H-pyrimidin-6-one is C=CN(c1nc[nH]c(=O)c1N)C(C)C.
What is the InChIKey of 5-amino-4-[ethenyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is SFJKDNCCBPUOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-4-13(6(2)3)8-7(10)9(14)12-5-11-8/h4-6H,1,10H2,2-3H3,(H,11,12,14).
What are the key properties of 5-amino-4-[ethenyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[ethenyl(propan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 194.24 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[ethenyl(propan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137308044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).