4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile

C12H17N5O — CID 115143652

IUPAC4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile
SMILESCN1CCC(CN(C)c2cc(C#N)[nH]c(=O)n2)C1
InChIInChI=1S/C12H17N5O/c1-16-4-3-9(7-16)8-17(2)11-5-10(6-13)14-12(18)15-11/h5,9H,3-4,7-8H2,1-2H3,(H,14,15,18)
InChIKeyBVHWRZHUPAIYDA-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.03
Rot. Bonds3

About 4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile

4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile (PubChem CID 115143652) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile
PubChem CID115143652
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile
SMILESCN1CCC(CN(C)c2cc(C#N)[nH]c(=O)n2)C1
InChIInChI=1S/C12H17N5O/c1-16-4-3-9(7-16)8-17(2)11-5-10(6-13)14-12(18)15-11/h5,9H,3-4,7-8H2,1-2H3,(H,14,15,18)
InChIKeyBVHWRZHUPAIYDA-UHFFFAOYSA-N
XLogP0.03
TPSA76.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carbonitrile
CID 115143377
4-[methyl(propyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143512
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 63274025
4-[(1-methylpyrrolidin-3-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143508
4-[methyl(pentyl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143689
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile
CID 63274069
2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carboxylic acid
CID 55170476
4-[(2,5-dimethylphenyl)methyl-methylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143627
4-[methyl-[(2-methylphenyl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143637
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 114287570
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 80829312
2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine
CID 80647121

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
The IUPAC name of 4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile (CID 115143652) is 4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile.
What is the SMILES notation for 4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
The canonical SMILES for 4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile is CN1CCC(CN(C)c2cc(C#N)[nH]c(=O)n2)C1.
What is the InChIKey of 4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
The InChIKey is BVHWRZHUPAIYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-16-4-3-9(7-16)8-17(2)11-5-10(6-13)14-12(18)15-11/h5,9H,3-4,7-8H2,1-2H3,(H,14,15,18).
What are the key properties of 4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile has a molecular weight of 247.30 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile is sourced from PubChem (CID 115143652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).