4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrimidine-5-carboxylic acid

C14H20N4O2 — CID 102974371

IUPAC4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1CN1CCC(N2CCCC2)C1
InChIInChI=1S/C14H20N4O2/c19-14(20)12-7-15-10-16-13(12)9-17-6-3-11(8-17)18-4-1-2-5-18/h7,10-11H,1-6,8-9H2,(H,19,20)
InChIKeyORBNKWWYUVPDDG-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.84
Rot. Bonds4

About 4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrimidine-5-carboxylic acid

4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrimidine-5-carboxylic acid (PubChem CID 102974371) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrimidine-5-carboxylic acid
PubChem CID102974371
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1CN1CCC(N2CCCC2)C1
InChIInChI=1S/C14H20N4O2/c19-14(20)12-7-15-10-16-13(12)9-17-6-3-11(8-17)18-4-1-2-5-18/h7,10-11H,1-6,8-9H2,(H,19,20)
InChIKeyORBNKWWYUVPDDG-UHFFFAOYSA-N
XLogP0.84
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyrimidine-5-carboxylic acid
CID 102974192
4-[(4-methylazepan-1-yl)methyl]pyrimidine-5-carboxylic acid
CID 102974386
4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidine-5-carboxylic acid
CID 102974511
2-fluoro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 107880814
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63885544
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 63170613
pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110466868
4-(cyclopropylmethoxymethyl)pyrimidine-5-carboxylic acid
CID 102973559
5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771683
5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 113234614
3-chloro-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 102669966
3-fluoro-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 63531304

Frequently Asked Questions

What is the IUPAC name of 4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrimidine-5-carboxylic acid (CID 102974371) is 4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1CN1CCC(N2CCCC2)C1.
What is the InChIKey of 4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrimidine-5-carboxylic acid?
The InChIKey is ORBNKWWYUVPDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-14(20)12-7-15-10-16-13(12)9-17-6-3-11(8-17)18-4-1-2-5-18/h7,10-11H,1-6,8-9H2,(H,19,20).
What are the key properties of 4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrimidine-5-carboxylic acid?
4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrimidine-5-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 102974371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).