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

C11H16ClN3O — CID 136852233

IUPAC5-chloro-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCCCC1(CNc2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C11H16ClN3O/c1-2-3-11(4-5-11)6-13-9-8(12)10(16)15-7-14-9/h7H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyVRBOFJPCDQLNRF-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.42
Rot. Bonds5

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

5-chloro-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136852233) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-chloro-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136852233
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name5-chloro-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCCCC1(CNc2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C11H16ClN3O/c1-2-3-11(4-5-11)6-13-9-8(12)10(16)15-7-14-9/h7H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyVRBOFJPCDQLNRF-UHFFFAOYSA-N
XLogP2.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one
CID 136976376
5-chloro-4-[2-(propylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977852
4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136951275
5-chloro-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819393
5-chloro-4-(2-chloropropylamino)-1H-pyrimidin-6-one
CID 136971856
5-chloro-4-(2-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136977253
4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one
CID 137008663
5-chloro-4-(3-chloropropylamino)-1H-pyrimidin-6-one
CID 136971845
4-[[(E)-but-2-enyl]amino]-5-chloro-1H-pyrimidin-6-one
CID 137259056
5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136973947
4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137008656
5-chloro-4-[2-(4-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one
CID 136975879

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one (CID 136852233) is 5-chloro-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one is CCCC1(CNc2nc[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is VRBOFJPCDQLNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-2-3-11(4-5-11)6-13-9-8(12)10(16)15-7-14-9/h7H,2-6H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-chloro-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
5-chloro-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 241.72 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136852233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).