4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-methylpyrimidine

C11H16ClN3O2 — CID 103536649

IUPAC4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-methylpyrimidine
SMILESCOC1CN(c2ncnc(Cl)c2C)CC1OC
InChIInChI=1S/C11H16ClN3O2/c1-7-10(12)13-6-14-11(7)15-4-8(16-2)9(5-15)17-3/h6,8-9H,4-5H2,1-3H3
InChIKeyPRWVTQHBCWWPJS-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.29
Rot. Bonds3

About 4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-methylpyrimidine

4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-methylpyrimidine (PubChem CID 103536649) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-methylpyrimidine
PubChem CID103536649
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-methylpyrimidine
SMILESCOC1CN(c2ncnc(Cl)c2C)CC1OC
InChIInChI=1S/C11H16ClN3O2/c1-7-10(12)13-6-14-11(7)15-4-8(16-2)9(5-15)17-3/h6,8-9H,4-5H2,1-3H3
InChIKeyPRWVTQHBCWWPJS-UHFFFAOYSA-N
XLogP1.29
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-ethylpyrimidine
CID 103536691
2-(6-chloro-5-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115561001
4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine
CID 102963245
4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 103500926
4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 63735916
2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82691796
4-(6-chloro-5-methylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102891462
4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine
CID 66331134
4-chloro-6-(3-methoxyazetidin-1-yl)-2,5-dimethylpyrimidine
CID 130548007
4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-7-amine
CID 103530590
[1-(6-methoxy-5-methylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 66325530
1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106670902

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-methylpyrimidine (CID 103536649) is 4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-methylpyrimidine is COC1CN(c2ncnc(Cl)c2C)CC1OC.
What is the InChIKey of 4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-methylpyrimidine?
The InChIKey is PRWVTQHBCWWPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-7-10(12)13-6-14-11(7)15-4-8(16-2)9(5-15)17-3/h6,8-9H,4-5H2,1-3H3.
What are the key properties of 4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-methylpyrimidine?
4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-methylpyrimidine has a molecular weight of 257.72 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-methylpyrimidine is sourced from PubChem (CID 103536649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).