4-amino-2-anilino-5-propan-2-yl-1H-pyrimidin-6-one

C13H16N4O — CID 136951883

IUPAC4-amino-2-anilino-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(N)nc(Nc2ccccc2)[nH]c1=O
InChIInChI=1S/C13H16N4O/c1-8(2)10-11(14)16-13(17-12(10)18)15-9-6-4-3-5-7-9/h3-8H,1-2H3,(H4,14,15,16,17,18)
InChIKeyPVZCXWJVOMELGB-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.22
Rot. Bonds3

About 4-amino-2-anilino-5-propan-2-yl-1H-pyrimidin-6-one

4-amino-2-anilino-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136951883) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-amino-2-anilino-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-anilino-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136951883
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-amino-2-anilino-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(N)nc(Nc2ccccc2)[nH]c1=O
InChIInChI=1S/C13H16N4O/c1-8(2)10-11(14)16-13(17-12(10)18)15-9-6-4-3-5-7-9/h3-8H,1-2H3,(H4,14,15,16,17,18)
InChIKeyPVZCXWJVOMELGB-UHFFFAOYSA-N
XLogP2.22
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-anilino-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-anilino-5-propan-2-yl-1H-pyrimidin-6-one (CID 136951883) is 4-amino-2-anilino-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-anilino-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-anilino-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(N)nc(Nc2ccccc2)[nH]c1=O.
What is the InChIKey of 4-amino-2-anilino-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is PVZCXWJVOMELGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8(2)10-11(14)16-13(17-12(10)18)15-9-6-4-3-5-7-9/h3-8H,1-2H3,(H4,14,15,16,17,18).
What are the key properties of 4-amino-2-anilino-5-propan-2-yl-1H-pyrimidin-6-one?
4-amino-2-anilino-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 244.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-anilino-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136951883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).