5-chloro-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one

C10H14ClN3O — CID 136870765

IUPAC5-chloro-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one
SMILESCCCC1CC1Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H14ClN3O/c1-2-3-6-4-7(6)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeyAAFJESSZHWOJAK-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.02
Rot. Bonds4

About 5-chloro-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one

5-chloro-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136870765) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-chloro-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one
PubChem CID136870765
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name5-chloro-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one
SMILESCCCC1CC1Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H14ClN3O/c1-2-3-6-4-7(6)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeyAAFJESSZHWOJAK-UHFFFAOYSA-N
XLogP2.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-propylcyclopropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one (CID 136870765) is 5-chloro-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one is CCCC1CC1Nc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is AAFJESSZHWOJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-2-3-6-4-7(6)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 227.69 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136870765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).