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

C10H14ClN3O — CID 136870776

IUPAC5-chloro-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)(Nc1nc[nH]c(=O)c1Cl)C1CC1
InChIInChI=1S/C10H14ClN3O/c1-10(2,6-3-4-6)14-8-7(11)9(15)13-5-12-8/h5-6H,3-4H2,1-2H3,(H2,12,13,14,15)
InChIKeyLWFVLDUOMMBBHS-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.02
Rot. Bonds3

About 5-chloro-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one

5-chloro-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136870776) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-chloro-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136870776
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name5-chloro-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)(Nc1nc[nH]c(=O)c1Cl)C1CC1
InChIInChI=1S/C10H14ClN3O/c1-10(2,6-3-4-6)14-8-7(11)9(15)13-5-12-8/h5-6H,3-4H2,1-2H3,(H2,12,13,14,15)
InChIKeyLWFVLDUOMMBBHS-UHFFFAOYSA-N
XLogP2.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one (CID 136870776) is 5-chloro-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one is CC(C)(Nc1nc[nH]c(=O)c1Cl)C1CC1.
What is the InChIKey of 5-chloro-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is LWFVLDUOMMBBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-10(2,6-3-4-6)14-8-7(11)9(15)13-5-12-8/h5-6H,3-4H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one?
5-chloro-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 227.69 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136870776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).