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

C15H20N4 — CID 124947102

IUPAC4-methyl-2-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
SMILESCc1ccnc([C@@H]2CCN(Cc3cccn3C)C2)n1
InChIInChI=1S/C15H20N4/c1-12-5-7-16-15(17-12)13-6-9-19(10-13)11-14-4-3-8-18(14)2/h3-5,7-8,13H,6,9-11H2,1-2H3/t13-/m1/s1
InChIKeyCDIOVHLEUBIEFR-CYBMUJFWSA-N
MW256.35 g/mol
LogP2.11
Rot. Bonds3

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

4-methyl-2-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine (PubChem CID 124947102) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methyl-2-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
PubChem CID124947102
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-methyl-2-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
SMILESCc1ccnc([C@@H]2CCN(Cc3cccn3C)C2)n1
InChIInChI=1S/C15H20N4/c1-12-5-7-16-15(17-12)13-6-9-19(10-13)11-14-4-3-8-18(14)2/h3-5,7-8,13H,6,9-11H2,1-2H3/t13-/m1/s1
InChIKeyCDIOVHLEUBIEFR-CYBMUJFWSA-N
XLogP2.11
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 110103691
4-methyl-2-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 124999909
2-[(3R)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 125000961
2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 124953007
1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole
CID 125023444
2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 118739859
4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 129406988
4-methyl-2-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidine
CID 138038763
N-methyl-3-[[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 125026728
4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 125003047
2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid
CID 124954393
1-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyrrole
CID 23396939

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine (CID 124947102) is 4-methyl-2-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine is Cc1ccnc([C@@H]2CCN(Cc3cccn3C)C2)n1.
What is the InChIKey of 4-methyl-2-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine?
The InChIKey is CDIOVHLEUBIEFR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-5-7-16-15(17-12)13-6-9-19(10-13)11-14-4-3-8-18(14)2/h3-5,7-8,13H,6,9-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-methyl-2-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine?
4-methyl-2-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine has a molecular weight of 256.35 g/mol, XLogP of 2.11, 3 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-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine is sourced from PubChem (CID 124947102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).