2-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-4-carboxylic acid

C11H16N4O2 — CID 107553329

IUPAC2-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-4-carboxylic acid
SMILESCN1CCC(CNc2nccc(C(=O)O)n2)C1
InChIInChI=1S/C11H16N4O2/c1-15-5-3-8(7-15)6-13-11-12-4-2-9(14-11)10(16)17/h2,4,8H,3,5-7H2,1H3,(H,16,17)(H,12,13,14)
InChIKeyNBPQAEKKZSHRBV-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.54
Rot. Bonds4

About 2-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-4-carboxylic acid

2-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-4-carboxylic acid (PubChem CID 107553329) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-4-carboxylic acid
PubChem CID107553329
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-4-carboxylic acid
SMILESCN1CCC(CNc2nccc(C(=O)O)n2)C1
InChIInChI=1S/C11H16N4O2/c1-15-5-3-8(7-15)6-13-11-12-4-2-9(14-11)10(16)17/h2,4,8H,3,5-7H2,1H3,(H,16,17)(H,12,13,14)
InChIKeyNBPQAEKKZSHRBV-UHFFFAOYSA-N
XLogP0.54
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid
CID 107554558
4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 22135686
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95334464
2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid
CID 107553233
2-(2-methylpropylamino)pyrimidine-4-carboxylic acid
CID 103689466
2-methyl-2-[2-[[(3R)-1-methylpyrrolidin-3-yl]methylamino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid
CID 97445783
2-(oxetan-3-ylmethylamino)pyrimidine-4-carboxamide
CID 141444837
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylpyrimidin-2-amine
CID 62959994
2-(cyclopentylamino)pyrimidine-4-carboxylic acid
CID 91076843
N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
CID 60857116
2-(5-methylhexylamino)pyrimidine-4-carboxylic acid
CID 107554244
2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80811984

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-4-carboxylic acid (CID 107553329) is 2-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-4-carboxylic acid is CN1CCC(CNc2nccc(C(=O)O)n2)C1.
What is the InChIKey of 2-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-4-carboxylic acid?
The InChIKey is NBPQAEKKZSHRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-15-5-3-8(7-15)6-13-11-12-4-2-9(14-11)10(16)17/h2,4,8H,3,5-7H2,1H3,(H,16,17)(H,12,13,14).
What are the key properties of 2-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-4-carboxylic acid?
2-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-4-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).