5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-N-propan-2-ylpyrimidin-2-amine

C15H27N5 — CID 102536699

IUPAC5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-N-propan-2-ylpyrimidin-2-amine
SMILESCCN1CCCC1CNCc1cnc(NC(C)C)nc1
InChIInChI=1S/C15H27N5/c1-4-20-7-5-6-14(20)11-16-8-13-9-17-15(18-10-13)19-12(2)3/h9-10,12,14,16H,4-8,11H2,1-3H3,(H,17,18,19)
InChIKeyINQRFDUMKGAKBQ-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.87
Rot. Bonds7

About 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-N-propan-2-ylpyrimidin-2-amine

5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-N-propan-2-ylpyrimidin-2-amine (PubChem CID 102536699) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-N-propan-2-ylpyrimidin-2-amine
PubChem CID102536699
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-N-propan-2-ylpyrimidin-2-amine
SMILESCCN1CCCC1CNCc1cnc(NC(C)C)nc1
InChIInChI=1S/C15H27N5/c1-4-20-7-5-6-14(20)11-16-8-13-9-17-15(18-10-13)19-12(2)3/h9-10,12,14,16H,4-8,11H2,1-3H3,(H,17,18,19)
InChIKeyINQRFDUMKGAKBQ-UHFFFAOYSA-N
XLogP1.87
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 3157143
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methylphenyl)methyl]methanamine
CID 51627856
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 51627868
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 43088242
6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyridin-3-ol
CID 79776024
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]methanamine
CID 834575
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
1-(1-ethylpyrrolidin-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66408267
2-[4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64831318
N-[(3,5-dibromo-4-propan-2-yloxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51985959
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
N-[(3,4-diethoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628283

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-N-propan-2-ylpyrimidin-2-amine (CID 102536699) is 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-N-propan-2-ylpyrimidin-2-amine is CCN1CCCC1CNCc1cnc(NC(C)C)nc1.
What is the InChIKey of 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is INQRFDUMKGAKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-4-20-7-5-6-14(20)11-16-8-13-9-17-15(18-10-13)19-12(2)3/h9-10,12,14,16H,4-8,11H2,1-3H3,(H,17,18,19).
What are the key properties of 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-N-propan-2-ylpyrimidin-2-amine?
5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 277.42 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 102536699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).