N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine

C11H18N4 — CID 169170213

IUPACN-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
SMILESCNC[C@H]1CCN(c2nccc(C)n2)C1
InChIInChI=1S/C11H18N4/c1-9-3-5-13-11(14-9)15-6-4-10(8-15)7-12-2/h3,5,10,12H,4,6-8H2,1-2H3/t10-/m1/s1
InChIKeyFIQCBUONLVPDMG-SNVBAGLBSA-N
MW206.29 g/mol
LogP0.83
Rot. Bonds3

About N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine

N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine (PubChem CID 169170213) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
PubChem CID169170213
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC NameN-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
SMILESCNC[C@H]1CCN(c2nccc(C)n2)C1
InChIInChI=1S/C11H18N4/c1-9-3-5-13-11(14-9)15-6-4-10(8-15)7-12-2/h3,5,10,12H,4,6-8H2,1-2H3/t10-/m1/s1
InChIKeyFIQCBUONLVPDMG-SNVBAGLBSA-N
XLogP0.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 62958741
N-methyl-1-[1-(4-methylpyrimidin-2-yl)azetidin-3-yl]methanamine
CID 130921522
1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 156651528
2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 163347848
2-[3-(chloromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 63390343
2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 115657972
2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine
CID 170581547
N-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine
CID 55152111
N-methyl-1-[1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 113491546
4-methyl-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 133342054
2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine
CID 133310053
N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine
CID 123144666

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine (CID 169170213) is N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine is CNC[C@H]1CCN(c2nccc(C)n2)C1.
What is the InChIKey of N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is FIQCBUONLVPDMG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N4/c1-9-3-5-13-11(14-9)15-6-4-10(8-15)7-12-2/h3,5,10,12H,4,6-8H2,1-2H3/t10-/m1/s1.
What are the key properties of N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 169170213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).