2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine

C13H22N4 — CID 62993045

IUPAC2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCc1cncnc1)CN1CCCC1
InChIInChI=1S/C13H22N4/c1-12(10-17-4-2-3-5-17)6-14-7-13-8-15-11-16-9-13/h8-9,11-12,14H,2-7,10H2,1H3
InChIKeyUMVJKVRQONBKTL-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.30
Rot. Bonds6

About 2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine

2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 62993045) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID62993045
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCc1cncnc1)CN1CCCC1
InChIInChI=1S/C13H22N4/c1-12(10-17-4-2-3-5-17)6-14-7-13-8-15-11-16-9-13/h8-9,11-12,14H,2-7,10H2,1H3
InChIKeyUMVJKVRQONBKTL-UHFFFAOYSA-N
XLogP1.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-fluoro-3-pyridinyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 104953477
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115767635
N-(1H-imidazol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62993213
2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 66162182
N-[(1-tert-butylpyrazol-4-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 60962271
4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]benzonitrile
CID 60957478
4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]benzene-1,2-diol
CID 60957707
2-methyl-3-methylsulfanyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
CID 63982340
2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54893417
2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 61222270
N-[(3-methoxyphenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60956731
N-[[3-(difluoromethyl)phenyl]methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 115526373

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine (CID 62993045) is 2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine is CC(CNCc1cncnc1)CN1CCCC1.
What is the InChIKey of 2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is UMVJKVRQONBKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-12(10-17-4-2-3-5-17)6-14-7-13-8-15-11-16-9-13/h8-9,11-12,14H,2-7,10H2,1H3.
What are the key properties of 2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 234.35 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 62993045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).