4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine

C10H14ClN3O — CID 108773094

IUPAC4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine
SMILESCOC1CCN(c2cc(Cl)nc(C)n2)C1
InChIInChI=1S/C10H14ClN3O/c1-7-12-9(11)5-10(13-7)14-4-3-8(6-14)15-2/h5,8H,3-4,6H2,1-2H3
InChIKeyZQTZEKAZUJYHMP-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.66
Rot. Bonds2

About 4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine

4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine (PubChem CID 108773094) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine
PubChem CID108773094
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine
SMILESCOC1CCN(c2cc(Cl)nc(C)n2)C1
InChIInChI=1S/C10H14ClN3O/c1-7-12-9(11)5-10(13-7)14-4-3-8(6-14)15-2/h5,8H,3-4,6H2,1-2H3
InChIKeyZQTZEKAZUJYHMP-UHFFFAOYSA-N
XLogP1.66
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 103536578
6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 103541803
4-chloro-2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine
CID 133465338
[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 129393742
4-chloro-6-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 129471026
4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine
CID 115689812
4-chloro-6-(3-methoxypiperidin-1-yl)-2-methylsulfanylpyrimidine
CID 102963287
6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 103541717
4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine
CID 133446164
2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine
CID 154661534
2-chloro-6-(4-methoxypiperidin-1-yl)pyridine-4-carbonitrile
CID 83073102
(3aS,6aS)-2-(6-chloro-2-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129381760

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine (CID 108773094) is 4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine is COC1CCN(c2cc(Cl)nc(C)n2)C1.
What is the InChIKey of 4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine?
The InChIKey is ZQTZEKAZUJYHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-12-9(11)5-10(13-7)14-4-3-8(6-14)15-2/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine?
4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine has a molecular weight of 227.69 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine is sourced from PubChem (CID 108773094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).