1-(1-ethylpyrrolidin-3-yl)-N-(pyrimidin-5-ylmethyl)methanamine

C12H20N4 — CID 62760477

IUPAC1-(1-ethylpyrrolidin-3-yl)-N-(pyrimidin-5-ylmethyl)methanamine
SMILESCCN1CCC(CNCc2cncnc2)C1
InChIInChI=1S/C12H20N4/c1-2-16-4-3-11(9-16)5-13-6-12-7-14-10-15-8-12/h7-8,10-11,13H,2-6,9H2,1H3
InChIKeyXAGZBZZCUOVZJZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.91
Rot. Bonds5

About 1-(1-ethylpyrrolidin-3-yl)-N-(pyrimidin-5-ylmethyl)methanamine

1-(1-ethylpyrrolidin-3-yl)-N-(pyrimidin-5-ylmethyl)methanamine (PubChem CID 62760477) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-3-yl)-N-(pyrimidin-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-3-yl)-N-(pyrimidin-5-ylmethyl)methanamine
PubChem CID62760477
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-(1-ethylpyrrolidin-3-yl)-N-(pyrimidin-5-ylmethyl)methanamine
SMILESCCN1CCC(CNCc2cncnc2)C1
InChIInChI=1S/C12H20N4/c1-2-16-4-3-11(9-16)5-13-6-12-7-14-10-15-8-12/h7-8,10-11,13H,2-6,9H2,1H3
InChIKeyXAGZBZZCUOVZJZ-UHFFFAOYSA-N
XLogP0.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 63001258
1-(4-ethylcyclohexyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62761015
4-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-2,6-dimethoxyphenol
CID 60855504
1-(1-ethylpyrrolidin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60857021
1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]methanamine
CID 62405327
N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855833
1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine
CID 62759751
N-[(5-ethylfuran-2-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 62346349
1-(1-ethylpyrrolidin-3-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 60857501
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60870505
N,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 60856533
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855695

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-N-(pyrimidin-5-ylmethyl)methanamine?
The IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-N-(pyrimidin-5-ylmethyl)methanamine (CID 62760477) is 1-(1-ethylpyrrolidin-3-yl)-N-(pyrimidin-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-3-yl)-N-(pyrimidin-5-ylmethyl)methanamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-3-yl)-N-(pyrimidin-5-ylmethyl)methanamine is CCN1CCC(CNCc2cncnc2)C1.
What is the InChIKey of 1-(1-ethylpyrrolidin-3-yl)-N-(pyrimidin-5-ylmethyl)methanamine?
The InChIKey is XAGZBZZCUOVZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-16-4-3-11(9-16)5-13-6-12-7-14-10-15-8-12/h7-8,10-11,13H,2-6,9H2,1H3.
What are the key properties of 1-(1-ethylpyrrolidin-3-yl)-N-(pyrimidin-5-ylmethyl)methanamine?
1-(1-ethylpyrrolidin-3-yl)-N-(pyrimidin-5-ylmethyl)methanamine has a molecular weight of 220.32 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-3-yl)-N-(pyrimidin-5-ylmethyl)methanamine is sourced from PubChem (CID 62760477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).