4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine

C10H14ClN3O — CID 64596616

IUPAC4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
SMILESCOCC1CCN(c2cc(Cl)ncn2)C1
InChIInChI=1S/C10H14ClN3O/c1-15-6-8-2-3-14(5-8)10-4-9(11)12-7-13-10/h4,7-8H,2-3,5-6H2,1H3
InChIKeyVUBMOEUCHSUVGP-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.60
Rot. Bonds3

About 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine

4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine (PubChem CID 64596616) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
PubChem CID64596616
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
SMILESCOCC1CCN(c2cc(Cl)ncn2)C1
InChIInChI=1S/C10H14ClN3O/c1-15-6-8-2-3-14(5-8)10-4-9(11)12-7-13-10/h4,7-8H,2-3,5-6H2,1H3
InChIKeyVUBMOEUCHSUVGP-UHFFFAOYSA-N
XLogP1.60
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine
CID 129414399
4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 129497002
[6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine
CID 80918094
2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine
CID 103757063
4-chloro-6-(4-methoxypiperidin-1-yl)pyrimidine
CID 22309693
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine
CID 80945124
6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 106590145
[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66320781
N-[[5-chloro-2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-2-amine
CID 114926628
4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine
CID 124832471
4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine
CID 121205984
4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464582

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine (CID 64596616) is 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine is COCC1CCN(c2cc(Cl)ncn2)C1.
What is the InChIKey of 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is VUBMOEUCHSUVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-15-6-8-2-3-14(5-8)10-4-9(11)12-7-13-10/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine?
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 227.69 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 64596616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).