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

C10H16N4O — CID 136677207

IUPAC4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CC(C)C(N)C2)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O/c1-6-4-14(5-8(6)11)9-3-10(15)13-7(2)12-9/h3,6,8H,4-5,11H2,1-2H3,(H,12,13,15)
InChIKeyBOCHCTZKVHZZJW-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.14
Rot. Bonds1

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

4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136677207) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136677207
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CC(C)C(N)C2)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O/c1-6-4-14(5-8(6)11)9-3-10(15)13-7(2)12-9/h3,6,8H,4-5,11H2,1-2H3,(H,12,13,15)
InChIKeyBOCHCTZKVHZZJW-UHFFFAOYSA-N
XLogP-0.14
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958918
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136842971
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136957825
2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-1H-pyrimidin-6-one
CID 136957833
(3R)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914110
4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136958092
4-(3-amino-3-cyclopropylazetidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 137008576
2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136957819
2-methyl-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135592113
2-methyl-4-[2-(methylaminomethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 136978852
2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977973
4-[4-(5-aminopentyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136972676

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one (CID 136677207) is 4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CC(C)C(N)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is BOCHCTZKVHZZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-6-4-14(5-8(6)11)9-3-10(15)13-7(2)12-9/h3,6,8H,4-5,11H2,1-2H3,(H,12,13,15).
What are the key properties of 4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136677207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).