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

C11H17N3O — CID 136852236

IUPAC4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCCCC1(CNc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H17N3O/c1-2-3-11(4-5-11)7-12-9-6-10(15)14-8-13-9/h6,8H,2-5,7H2,1H3,(H2,12,13,14,15)
InChIKeyPTNQZFVELZEZHM-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.76
Rot. Bonds5

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

4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136852236) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136852236
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCCCC1(CNc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H17N3O/c1-2-3-11(4-5-11)7-12-9-6-10(15)14-8-13-9/h6,8H,2-5,7H2,1H3,(H2,12,13,14,15)
InChIKeyPTNQZFVELZEZHM-UHFFFAOYSA-N
XLogP1.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(octylamino)-1H-pyrimidin-6-one
CID 136333761
4-(3,3,5,5-tetramethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136482268
4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701823
4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704110
4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723585
4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733820
4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750479
4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756219
4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136757122
4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768846
4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136786657

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one (CID 136852236) is 4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one is CCCC1(CNc2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is PTNQZFVELZEZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-3-11(4-5-11)7-12-9-6-10(15)14-8-13-9/h6,8H,2-5,7H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136852236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).