4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine

C10H14ClN3O — CID 97163146

IUPAC4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine
SMILESCc1cnc(OC[C@H]2CCCN2)nc1Cl
InChIInChI=1S/C10H14ClN3O/c1-7-5-13-10(14-9(7)11)15-6-8-3-2-4-12-8/h5,8,12H,2-4,6H2,1H3/t8-/m1/s1
InChIKeyRVJGPZVOOQPPKY-MRVPVSSYSA-N
MW227.69 g/mol
LogP1.57
Rot. Bonds3

About 4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine

4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine (PubChem CID 97163146) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine
PubChem CID97163146
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine
SMILESCc1cnc(OC[C@H]2CCCN2)nc1Cl
InChIInChI=1S/C10H14ClN3O/c1-7-5-13-10(14-9(7)11)15-6-8-3-2-4-12-8/h5,8,12H,2-4,6H2,1H3/t8-/m1/s1
InChIKeyRVJGPZVOOQPPKY-MRVPVSSYSA-N
XLogP1.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine
CID 106999581
4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine
CID 97162664
4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine
CID 71639114
5-iodo-2-(piperidin-2-ylmethoxy)pyrimidine
CID 116649393
2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine
CID 116650736
5-fluoro-2-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride
CID 71643590
(2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine
CID 59628765
2,4-dimethyl-6-(pyrrolidin-2-ylmethoxy)pyrimidine
CID 62348060
2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine
CID 97162856
3-butyl-2-chloro-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 57313575
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine (CID 97163146) is 4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine is Cc1cnc(OC[C@H]2CCCN2)nc1Cl.
What is the InChIKey of 4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine?
The InChIKey is RVJGPZVOOQPPKY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-5-13-10(14-9(7)11)15-6-8-3-2-4-12-8/h5,8,12H,2-4,6H2,1H3/t8-/m1/s1.
What are the key properties of 4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine?
4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine has a molecular weight of 227.69 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine is sourced from PubChem (CID 97163146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).