4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-5-carboxylic acid

C13H20N4O2 — CID 83181466

IUPAC4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-5-carboxylic acid
SMILESCc1nc(N(C)CC2CCN(C)C2)ncc1C(=O)O
InChIInChI=1S/C13H20N4O2/c1-9-11(12(18)19)6-14-13(15-9)17(3)8-10-4-5-16(2)7-10/h6,10H,4-5,7-8H2,1-3H3,(H,18,19)
InChIKeyNZWWLGNQJMPVAT-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.87
Rot. Bonds4

About 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-5-carboxylic acid

4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-5-carboxylic acid (PubChem CID 83181466) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-5-carboxylic acid
PubChem CID83181466
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-5-carboxylic acid
SMILESCc1nc(N(C)CC2CCN(C)C2)ncc1C(=O)O
InChIInChI=1S/C13H20N4O2/c1-9-11(12(18)19)6-14-13(15-9)17(3)8-10-4-5-16(2)7-10/h6,10H,4-5,7-8H2,1-3H3,(H,18,19)
InChIKeyNZWWLGNQJMPVAT-UHFFFAOYSA-N
XLogP0.87
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-5-carboxylic acid
CID 83181099
2-[cyclopropyl(methyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181070
2-methyl-2-[2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid
CID 97434580
4-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carboxylic acid
CID 83181767
2-[hexyl(methyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 91210438
5-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
CID 115424466
6-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid
CID 107553927
5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxylic acid
CID 63273907
4-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-2-amine
CID 107542009
2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carboxylic acid
CID 55170476
4-(ethylamino)-N,6-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 81235486
6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 63273833

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-5-carboxylic acid (CID 83181466) is 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-5-carboxylic acid is Cc1nc(N(C)CC2CCN(C)C2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-5-carboxylic acid?
The InChIKey is NZWWLGNQJMPVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-11(12(18)19)6-14-13(15-9)17(3)8-10-4-5-16(2)7-10/h6,10H,4-5,7-8H2,1-3H3,(H,18,19).
What are the key properties of 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-5-carboxylic acid?
4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-5-carboxylic acid has a molecular weight of 264.33 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).