2-methyl-5-[[3-methyl-4-(oxan-2-yl)pyrrolidin-1-yl]methyl]pyrimidine

C16H25N3O — CID 91363116

IUPAC2-methyl-5-[[3-methyl-4-(oxan-2-yl)pyrrolidin-1-yl]methyl]pyrimidine
SMILESCc1ncc(CN2CC(C)C(C3CCCCO3)C2)cn1
InChIInChI=1S/C16H25N3O/c1-12-9-19(10-14-7-17-13(2)18-8-14)11-15(12)16-5-3-4-6-20-16/h7-8,12,15-16H,3-6,9-11H2,1-2H3
InChIKeyINZBANUBTNYESH-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.42
Rot. Bonds3

About 2-methyl-5-[[3-methyl-4-(oxan-2-yl)pyrrolidin-1-yl]methyl]pyrimidine

2-methyl-5-[[3-methyl-4-(oxan-2-yl)pyrrolidin-1-yl]methyl]pyrimidine (PubChem CID 91363116) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-methyl-5-[[3-methyl-4-(oxan-2-yl)pyrrolidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-[[3-methyl-4-(oxan-2-yl)pyrrolidin-1-yl]methyl]pyrimidine
PubChem CID91363116
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-methyl-5-[[3-methyl-4-(oxan-2-yl)pyrrolidin-1-yl]methyl]pyrimidine
SMILESCc1ncc(CN2CC(C)C(C3CCCCO3)C2)cn1
InChIInChI=1S/C16H25N3O/c1-12-9-19(10-14-7-17-13(2)18-8-14)11-15(12)16-5-3-4-6-20-16/h7-8,12,15-16H,3-6,9-11H2,1-2H3
InChIKeyINZBANUBTNYESH-UHFFFAOYSA-N
XLogP2.42
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-1-benzyl-4-(oxan-2-yl)pyrrolidin-3-amine
CID 90405473
2-ethyl-5-[(2-methylpyrimidin-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 144878183
2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]propan-2-ol
CID 131889268
2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 124963845
2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 125022368
2-methyl-5-[(4-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine
CID 121275152
2-methyl-5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 118739889
2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 126946539
2-methyl-5-[[(2R)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 125026753
4-methyl-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120909762
6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 135162221
5-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99931126

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[3-methyl-4-(oxan-2-yl)pyrrolidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-methyl-5-[[3-methyl-4-(oxan-2-yl)pyrrolidin-1-yl]methyl]pyrimidine (CID 91363116) is 2-methyl-5-[[3-methyl-4-(oxan-2-yl)pyrrolidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-methyl-5-[[3-methyl-4-(oxan-2-yl)pyrrolidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-methyl-5-[[3-methyl-4-(oxan-2-yl)pyrrolidin-1-yl]methyl]pyrimidine is Cc1ncc(CN2CC(C)C(C3CCCCO3)C2)cn1.
What is the InChIKey of 2-methyl-5-[[3-methyl-4-(oxan-2-yl)pyrrolidin-1-yl]methyl]pyrimidine?
The InChIKey is INZBANUBTNYESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-9-19(10-14-7-17-13(2)18-8-14)11-15(12)16-5-3-4-6-20-16/h7-8,12,15-16H,3-6,9-11H2,1-2H3.
What are the key properties of 2-methyl-5-[[3-methyl-4-(oxan-2-yl)pyrrolidin-1-yl]methyl]pyrimidine?
2-methyl-5-[[3-methyl-4-(oxan-2-yl)pyrrolidin-1-yl]methyl]pyrimidine has a molecular weight of 275.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[3-methyl-4-(oxan-2-yl)pyrrolidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 91363116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).