4-(3-amino-3-cyclopropylazetidin-1-yl)-2-methyl-1H-pyrimidin-6-one

C11H16N4O — CID 137008576

IUPAC4-(3-amino-3-cyclopropylazetidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CC(N)(C3CC3)C2)cc(=O)[nH]1
InChIInChI=1S/C11H16N4O/c1-7-13-9(4-10(16)14-7)15-5-11(12,6-15)8-2-3-8/h4,8H,2-3,5-6,12H2,1H3,(H,13,14,16)
InChIKeyQZCBXIRDYGRKGY-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.01
Rot. Bonds2

About 4-(3-amino-3-cyclopropylazetidin-1-yl)-2-methyl-1H-pyrimidin-6-one

4-(3-amino-3-cyclopropylazetidin-1-yl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 137008576) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-(3-amino-3-cyclopropylazetidin-1-yl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-amino-3-cyclopropylazetidin-1-yl)-2-methyl-1H-pyrimidin-6-one
PubChem CID137008576
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4-(3-amino-3-cyclopropylazetidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CC(N)(C3CC3)C2)cc(=O)[nH]1
InChIInChI=1S/C11H16N4O/c1-7-13-9(4-10(16)14-7)15-5-11(12,6-15)8-2-3-8/h4,8H,2-3,5-6,12H2,1H3,(H,13,14,16)
InChIKeyQZCBXIRDYGRKGY-UHFFFAOYSA-N
XLogP0.01
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136677207
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136957825
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136794221
2-methyl-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135592113
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136842971
4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136949005
4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136958092
(3R)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914110
2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136957819
4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136989600
4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958918
2-methyl-4-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137007800

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-3-cyclopropylazetidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-amino-3-cyclopropylazetidin-1-yl)-2-methyl-1H-pyrimidin-6-one (CID 137008576) is 4-(3-amino-3-cyclopropylazetidin-1-yl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-amino-3-cyclopropylazetidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-amino-3-cyclopropylazetidin-1-yl)-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CC(N)(C3CC3)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(3-amino-3-cyclopropylazetidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is QZCBXIRDYGRKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7-13-9(4-10(16)14-7)15-5-11(12,6-15)8-2-3-8/h4,8H,2-3,5-6,12H2,1H3,(H,13,14,16).
What are the key properties of 4-(3-amino-3-cyclopropylazetidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
4-(3-amino-3-cyclopropylazetidin-1-yl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 220.28 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-3-cyclopropylazetidin-1-yl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137008576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).