3-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine

C17H23N5 — CID 95829944

IUPAC3-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1CN1CC[C@H](c2nc(C)cc(C)n2)C1
InChIInChI=1S/C17H23N5/c1-12-9-13(2)21-17(20-12)15-6-8-22(11-15)10-14-5-4-7-19-16(14)18-3/h4-5,7,9,15H,6,8,10-11H2,1-3H3,(H,18,19)/t15-/m0/s1
InChIKeyHSDMHYDCUGGUNU-HNNXBMFYSA-N
MW297.41 g/mol
LogP2.52
Rot. Bonds4

About 3-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine

3-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine (PubChem CID 95829944) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 3-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine
PubChem CID95829944
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name3-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1CN1CC[C@H](c2nc(C)cc(C)n2)C1
InChIInChI=1S/C17H23N5/c1-12-9-13(2)21-17(20-12)15-6-8-22(11-15)10-14-5-4-7-19-16(14)18-3/h4-5,7,9,15H,6,8,10-11H2,1-3H3,(H,18,19)/t15-/m0/s1
InChIKeyHSDMHYDCUGGUNU-HNNXBMFYSA-N
XLogP2.52
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine with MolForge

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Related Compounds

N-methyl-3-[[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 125026728
6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline
CID 95829818
N-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 63165530
4-methyl-2-[(2S)-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137131722
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-2-amine
CID 115561761
N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine
CID 95846016
2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 124953007
N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine
CID 125003912
N-methyl-3-[[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 124965358
[3-[(3-phenylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62472032
3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine
CID 125025982
2-[(3R)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 125000961

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine (CID 95829944) is 3-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine is CNc1ncccc1CN1CC[C@H](c2nc(C)cc(C)n2)C1.
What is the InChIKey of 3-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine?
The InChIKey is HSDMHYDCUGGUNU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N5/c1-12-9-13(2)21-17(20-12)15-6-8-22(11-15)10-14-5-4-7-19-16(14)18-3/h4-5,7,9,15H,6,8,10-11H2,1-3H3,(H,18,19)/t15-/m0/s1.
What are the key properties of 3-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine?
3-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine has a molecular weight of 297.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 95829944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).