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

C14H21N3O — CID 124641598

IUPAC4-methyl-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine
SMILESCc1ccnc([C@@H]2CCN(C3CCOCC3)C2)n1
InChIInChI=1S/C14H21N3O/c1-11-2-6-15-14(16-11)12-3-7-17(10-12)13-4-8-18-9-5-13/h2,6,12-13H,3-5,7-10H2,1H3/t12-/m1/s1
InChIKeyKKDGWUWEHBQSKJ-GFCCVEGCSA-N
MW247.34 g/mol
LogP1.75
Rot. Bonds2

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

4-methyl-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine (PubChem CID 124641598) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-methyl-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine
PubChem CID124641598
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-methyl-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine
SMILESCc1ccnc([C@@H]2CCN(C3CCOCC3)C2)n1
InChIInChI=1S/C14H21N3O/c1-11-2-6-15-14(16-11)12-3-7-17(10-12)13-4-8-18-9-5-13/h2,6,12-13H,3-5,7-10H2,1H3/t12-/m1/s1
InChIKeyKKDGWUWEHBQSKJ-GFCCVEGCSA-N
XLogP1.75
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 110103697
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-(1-methylpiperidin-3-yl)pyrimidine
CID 122609712
4-methyl-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole
CID 95841783
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
N-(4-chlorophenyl)-4-methyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110250665
2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 124953007
4-methyl-2-[1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 110103691
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine (CID 124641598) is 4-methyl-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine is Cc1ccnc([C@@H]2CCN(C3CCOCC3)C2)n1.
What is the InChIKey of 4-methyl-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine?
The InChIKey is KKDGWUWEHBQSKJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-2-6-15-14(16-11)12-3-7-17(10-12)13-4-8-18-9-5-13/h2,6,12-13H,3-5,7-10H2,1H3/t12-/m1/s1.
What are the key properties of 4-methyl-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine?
4-methyl-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine has a molecular weight of 247.34 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine is sourced from PubChem (CID 124641598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).