2-[amino(cyclopropyl)methyl]-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C14H14ClN3O2 — CID 79442000

IUPAC2-[amino(cyclopropyl)methyl]-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESNC(c1nc(O)c(-c2ccc(Cl)cc2)c(=O)[nH]1)C1CC1
InChIInChI=1S/C14H14ClN3O2/c15-9-5-3-7(4-6-9)10-13(19)17-12(18-14(10)20)11(16)8-1-2-8/h3-6,8,11H,1-2,16H2,(H2,17,18,19,20)
InChIKeyFVZHDRKBYFBNNL-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.21
Rot. Bonds3

About 2-[amino(cyclopropyl)methyl]-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one

2-[amino(cyclopropyl)methyl]-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79442000) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-[amino(cyclopropyl)methyl]-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[amino(cyclopropyl)methyl]-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79442000
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name2-[amino(cyclopropyl)methyl]-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESNC(c1nc(O)c(-c2ccc(Cl)cc2)c(=O)[nH]1)C1CC1
InChIInChI=1S/C14H14ClN3O2/c15-9-5-3-7(4-6-9)10-13(19)17-12(18-14(10)20)11(16)8-1-2-8/h3-6,8,11H,1-2,16H2,(H2,17,18,19,20)
InChIKeyFVZHDRKBYFBNNL-UHFFFAOYSA-N
XLogP2.21
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(cyclopropyl)methyl]-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[amino(cyclopropyl)methyl]-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 79442000) is 2-[amino(cyclopropyl)methyl]-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[amino(cyclopropyl)methyl]-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[amino(cyclopropyl)methyl]-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is NC(c1nc(O)c(-c2ccc(Cl)cc2)c(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[amino(cyclopropyl)methyl]-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is FVZHDRKBYFBNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-9-5-3-7(4-6-9)10-13(19)17-12(18-14(10)20)11(16)8-1-2-8/h3-6,8,11H,1-2,16H2,(H2,17,18,19,20).
What are the key properties of 2-[amino(cyclopropyl)methyl]-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-[amino(cyclopropyl)methyl]-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 291.74 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(cyclopropyl)methyl]-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79442000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).