5-chloro-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one

C10H16ClN3O — CID 136757524

IUPAC5-chloro-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(CC)Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O/c1-4-10(3,5-2)14-8-7(11)9(15)13-6-12-8/h6H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyPBTHRKPJVYODPL-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.41
Rot. Bonds4

About 5-chloro-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one

5-chloro-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136757524) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 5-chloro-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136757524
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name5-chloro-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(CC)Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O/c1-4-10(3,5-2)14-8-7(11)9(15)13-6-12-8/h6H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyPBTHRKPJVYODPL-UHFFFAOYSA-N
XLogP2.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one (CID 136757524) is 5-chloro-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one is CCC(C)(CC)Nc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is PBTHRKPJVYODPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-4-10(3,5-2)14-8-7(11)9(15)13-6-12-8/h6H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
5-chloro-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 229.71 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136757524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).