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

C10H13N5O — CID 115143508

IUPAC4-[(1-methylpyrrolidin-3-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
SMILESCN1CCC(Nc2cc(C#N)[nH]c(=O)n2)C1
InChIInChI=1S/C10H13N5O/c1-15-3-2-7(6-15)12-9-4-8(5-11)13-10(16)14-9/h4,7H,2-3,6H2,1H3,(H2,12,13,14,16)
InChIKeySRXNLRVEUXJPQR-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.24
Rot. Bonds2

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

4-[(1-methylpyrrolidin-3-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile (PubChem CID 115143508) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-[(1-methylpyrrolidin-3-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name4-[(1-methylpyrrolidin-3-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
PubChem CID115143508
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name4-[(1-methylpyrrolidin-3-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
SMILESCN1CCC(Nc2cc(C#N)[nH]c(=O)n2)C1
InChIInChI=1S/C10H13N5O/c1-15-3-2-7(6-15)12-9-4-8(5-11)13-10(16)14-9/h4,7H,2-3,6H2,1H3,(H2,12,13,14,16)
InChIKeySRXNLRVEUXJPQR-UHFFFAOYSA-N
XLogP-0.24
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143652
3-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 103467847
2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
CID 62481987
6-amino-2-[(1-methylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one
CID 136808808
6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
CID 66740280
2-chloro-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid
CID 54949787
6-N-(1-methylpyrrolidin-3-yl)pyridine-2,3,6-triamine
CID 79826028
methyl 4-methyl-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2-carboxylate
CID 66285041
6-N-methyl-4-N-(1-methylpyrrolidin-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80802965
4-methyl-2-[(1-methylpyrrolidin-3-yl)amino]benzonitrile
CID 55134635
2-tert-butyl-6-chloro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
CID 80953646
6-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
CID 61465352

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrrolidin-3-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
The IUPAC name of 4-[(1-methylpyrrolidin-3-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile (CID 115143508) is 4-[(1-methylpyrrolidin-3-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile.
What is the SMILES notation for 4-[(1-methylpyrrolidin-3-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
The canonical SMILES for 4-[(1-methylpyrrolidin-3-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile is CN1CCC(Nc2cc(C#N)[nH]c(=O)n2)C1.
What is the InChIKey of 4-[(1-methylpyrrolidin-3-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
The InChIKey is SRXNLRVEUXJPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-15-3-2-7(6-15)12-9-4-8(5-11)13-10(16)14-9/h4,7H,2-3,6H2,1H3,(H2,12,13,14,16).
What are the key properties of 4-[(1-methylpyrrolidin-3-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
4-[(1-methylpyrrolidin-3-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile has a molecular weight of 219.25 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrrolidin-3-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile is sourced from PubChem (CID 115143508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).