4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid

C16H17N3O2 — CID 83178302

IUPAC4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(N2CCC(c3ccccc3)C2)ncc1C(=O)O
InChIInChI=1S/C16H17N3O2/c1-11-14(15(20)21)9-17-16(18-11)19-8-7-13(10-19)12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3,(H,20,21)
InChIKeySYCQMTPRSXBDFQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.48
Rot. Bonds3

About 4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid

4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid (PubChem CID 83178302) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid
PubChem CID83178302
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(N2CCC(c3ccccc3)C2)ncc1C(=O)O
InChIInChI=1S/C16H17N3O2/c1-11-14(15(20)21)9-17-16(18-11)19-8-7-13(10-19)12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3,(H,20,21)
InChIKeySYCQMTPRSXBDFQ-UHFFFAOYSA-N
XLogP2.48
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid
CID 83181005
N-methyl-1-[4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine
CID 83178916
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 83181663
5-iodo-2-(3-phenylpyrrolidin-1-yl)pyrimidine
CID 104843440
4-methyl-2-(4-methylazepan-1-yl)pyrimidine-5-carboxylic acid
CID 83181691
4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 16653120
2-(3,4-dimethoxypyrrolidin-1-yl)-4-methylpyrimidine-5-carboxylic acid
CID 103534362
3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid
CID 80516938
1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
CID 135119885
4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxylic acid
CID 83180870
2-indazol-1-yl-4-methylpyrimidine-5-carboxylic acid
CID 83182002
4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 62131776

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid (CID 83178302) is 4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid is Cc1nc(N2CCC(c3ccccc3)C2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid?
The InChIKey is SYCQMTPRSXBDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-14(15(20)21)9-17-16(18-11)19-8-7-13(10-19)12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3,(H,20,21).
What are the key properties of 4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid?
4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83178302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).