2-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-4-methoxypyrimidine

C14H18ClN5O — CID 95764343

IUPAC2-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCC[C@@H]2c2c(C)nn(C)c2Cl)n1
InChIInChI=1S/C14H18ClN5O/c1-9-12(13(15)19(2)18-9)10-5-4-8-20(10)14-16-7-6-11(17-14)21-3/h6-7,10H,4-5,8H2,1-3H3/t10-/m1/s1
InChIKeyIUNAHGALDBXCKM-SNVBAGLBSA-N
MW307.79 g/mol
LogP2.52
Rot. Bonds3

About 2-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-4-methoxypyrimidine

2-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-4-methoxypyrimidine (PubChem CID 95764343) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-4-methoxypyrimidine.

Molecular Properties

Compound Name2-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-4-methoxypyrimidine
PubChem CID95764343
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name2-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCC[C@@H]2c2c(C)nn(C)c2Cl)n1
InChIInChI=1S/C14H18ClN5O/c1-9-12(13(15)19(2)18-9)10-5-4-8-20(10)14-16-7-6-11(17-14)21-3/h6-7,10H,4-5,8H2,1-3H3/t10-/m1/s1
InChIKeyIUNAHGALDBXCKM-SNVBAGLBSA-N
XLogP2.52
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
CID 95314796
2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 95764374
2-[2-(5-Methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 72144353
2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 95764375
4-{4-[(5-chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}-6-methoxypyrimidine
CID 50980524
2-[4-[(5-Chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-4-methoxypyrimidine
CID 50978989
4-Methoxy-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine
CID 51104263
4-Methoxy-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
CID 53593879
2-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-methoxypyrimidine
CID 53617288
4-Methoxy-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
CID 56778091
N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 71942321
4-Methoxy-2-[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
CID 72144358

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-4-methoxypyrimidine?
The IUPAC name of 2-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-4-methoxypyrimidine (CID 95764343) is 2-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-4-methoxypyrimidine.
What is the SMILES notation for 2-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-4-methoxypyrimidine?
The canonical SMILES for 2-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-4-methoxypyrimidine is COc1ccnc(N2CCC[C@@H]2c2c(C)nn(C)c2Cl)n1.
What is the InChIKey of 2-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-4-methoxypyrimidine?
The InChIKey is IUNAHGALDBXCKM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-9-12(13(15)19(2)18-9)10-5-4-8-20(10)14-16-7-6-11(17-14)21-3/h6-7,10H,4-5,8H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-4-methoxypyrimidine?
2-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-4-methoxypyrimidine has a molecular weight of 307.79 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-4-methoxypyrimidine is sourced from PubChem (CID 95764343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).