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

C14H17N3S — CID 129406988

IUPAC4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine
SMILESCc1ccnc([C@H]2CCN(Cc3ccsc3)C2)n1
InChIInChI=1S/C14H17N3S/c1-11-2-5-15-14(16-11)13-3-6-17(9-13)8-12-4-7-18-10-12/h2,4-5,7,10,13H,3,6,8-9H2,1H3/t13-/m0/s1
InChIKeyWJNNLNMGHIRLCA-ZDUSSCGKSA-N
MW259.38 g/mol
LogP2.84
Rot. Bonds3

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

4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine (PubChem CID 129406988) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine
PubChem CID129406988
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine
SMILESCc1ccnc([C@H]2CCN(Cc3ccsc3)C2)n1
InChIInChI=1S/C14H17N3S/c1-11-2-5-15-14(16-11)13-3-6-17(9-13)8-12-4-7-18-10-12/h2,4-5,7,10,13H,3,6,8-9H2,1H3/t13-/m0/s1
InChIKeyWJNNLNMGHIRLCA-ZDUSSCGKSA-N
XLogP2.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 125003047
4-methyl-2-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 124999909
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-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 124947102
2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid
CID 124954393
2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 118739859
2-[(3R)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 125000961
N-methyl-3-[[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 125026728
4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 110103697
1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole
CID 125023444
4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine
CID 95821351

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine (CID 129406988) is 4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine is Cc1ccnc([C@H]2CCN(Cc3ccsc3)C2)n1.
What is the InChIKey of 4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine?
The InChIKey is WJNNLNMGHIRLCA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17N3S/c1-11-2-5-15-14(16-11)13-3-6-17(9-13)8-12-4-7-18-10-12/h2,4-5,7,10,13H,3,6,8-9H2,1H3/t13-/m0/s1.
What are the key properties of 4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine?
4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine has a molecular weight of 259.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine is sourced from PubChem (CID 129406988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).