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

C15H23N3O — CID 110103697

IUPAC4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine
SMILESCc1ccnc(C2CCN(CC3CCOCC3)C2)n1
InChIInChI=1S/C15H23N3O/c1-12-2-6-16-15(17-12)14-3-7-18(11-14)10-13-4-8-19-9-5-13/h2,6,13-14H,3-5,7-11H2,1H3
InChIKeyNUHCJVSQMLFSIO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.00
Rot. Bonds3

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

4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine (PubChem CID 110103697) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine
PubChem CID110103697
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine
SMILESCc1ccnc(C2CCN(CC3CCOCC3)C2)n1
InChIInChI=1S/C15H23N3O/c1-12-2-6-16-15(17-12)14-3-7-18(11-14)10-13-4-8-19-9-5-13/h2,6,13-14H,3-5,7-11H2,1H3
InChIKeyNUHCJVSQMLFSIO-UHFFFAOYSA-N
XLogP2.00
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine
CID 124641598
4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 124999428
2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid
CID 124954393
4-methyl-2-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 124999909
4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine
CID 95821351
4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine
CID 122609712
4-methyl-2-[1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 110103691
2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 124953007
4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 129406988
4-methyl-2-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 124947102
2-methyl-4-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]pyridine
CID 110102930
4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 125003047

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine (CID 110103697) is 4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine is Cc1ccnc(C2CCN(CC3CCOCC3)C2)n1.
What is the InChIKey of 4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine?
The InChIKey is NUHCJVSQMLFSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-2-6-16-15(17-12)14-3-7-18(11-14)10-13-4-8-19-9-5-13/h2,6,13-14H,3-5,7-11H2,1H3.
What are the key properties of 4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine?
4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine has a molecular weight of 261.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine is sourced from PubChem (CID 110103697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).