4-chloro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylic acid

C11H14ClN3O3 — CID 168910704

IUPAC4-chloro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylic acid
SMILESCN1CCC[C@H]1COc1cc(Cl)nc(C(=O)O)n1
InChIInChI=1S/C11H14ClN3O3/c1-15-4-2-3-7(15)6-18-9-5-8(12)13-10(14-9)11(16)17/h5,7H,2-4,6H2,1H3,(H,16,17)/t7-/m0/s1
InChIKeyCVYHRQMHRQJUIE-ZETCQYMHSA-N
MW271.70 g/mol
LogP1.30
Rot. Bonds4

About 4-chloro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylic acid

4-chloro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylic acid (PubChem CID 168910704) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 4-chloro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylic acid
PubChem CID168910704
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name4-chloro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylic acid
SMILESCN1CCC[C@H]1COc1cc(Cl)nc(C(=O)O)n1
InChIInChI=1S/C11H14ClN3O3/c1-15-4-2-3-7(15)6-18-9-5-8(12)13-10(14-9)11(16)17/h5,7H,2-4,6H2,1H3,(H,16,17)/t7-/m0/s1
InChIKeyCVYHRQMHRQJUIE-ZETCQYMHSA-N
XLogP1.30
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrimidine-2-carboxylate
CID 178104654
2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid
CID 65472831
4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid
CID 166870743
acetylene;(2R)-2-[(Z)-1-amino-2-[4-chloro-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrimidine-2-carbonyl]pent-1-enyl]cyclohexan-1-one;methanol
CID 168910752
3-chloro-6-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridazine;oxalic acid
CID 21309714
methyl 4-(furan-3-yl)-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylate
CID 168910640
6-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
CID 65471120
(4S)-2-amino-4-[1-amino-2-[4-chloro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carbonyl]pent-1-enyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 174073470
[2-methyl-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-yl]hydrazine
CID 80921266
2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 10263121
2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54367867
2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine
CID 62477621

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylic acid?
The IUPAC name of 4-chloro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylic acid (CID 168910704) is 4-chloro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-chloro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-chloro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylic acid is CN1CCC[C@H]1COc1cc(Cl)nc(C(=O)O)n1.
What is the InChIKey of 4-chloro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylic acid?
The InChIKey is CVYHRQMHRQJUIE-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-15-4-2-3-7(15)6-18-9-5-8(12)13-10(14-9)11(16)17/h5,7H,2-4,6H2,1H3,(H,16,17)/t7-/m0/s1.
What are the key properties of 4-chloro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylic acid?
4-chloro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylic acid has a molecular weight of 271.70 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 168910704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).