4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one

C10H15N3O — CID 136870779

IUPAC4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)(Nc1cc(=O)[nH]cn1)C1CC1
InChIInChI=1S/C10H15N3O/c1-10(2,7-3-4-7)13-8-5-9(14)12-6-11-8/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyRUFLHWNHWXJKOX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.37
Rot. Bonds3

About 4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one

4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136870779) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136870779
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)(Nc1cc(=O)[nH]cn1)C1CC1
InChIInChI=1S/C10H15N3O/c1-10(2,7-3-4-7)13-8-5-9(14)12-6-11-8/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyRUFLHWNHWXJKOX-UHFFFAOYSA-N
XLogP1.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one (CID 136870779) is 4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one is CC(C)(Nc1cc(=O)[nH]cn1)C1CC1.
What is the InChIKey of 4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is RUFLHWNHWXJKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-10(2,7-3-4-7)13-8-5-9(14)12-6-11-8/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one?
4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 193.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136870779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).