1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine

C12H20N4 — CID 62759751

IUPAC1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine
SMILESCCN1CCCC(NCc2cncnc2)C1
InChIInChI=1S/C12H20N4/c1-2-16-5-3-4-12(9-16)15-8-11-6-13-10-14-7-11/h6-7,10,12,15H,2-5,8-9H2,1H3
InChIKeyJNRAGBCDYSUWBL-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.05
Rot. Bonds4

About 1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine

1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine (PubChem CID 62759751) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine
PubChem CID62759751
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine
SMILESCCN1CCCC(NCc2cncnc2)C1
InChIInChI=1S/C12H20N4/c1-2-16-5-3-4-12(9-16)15-8-11-6-13-10-14-7-11/h6-7,10,12,15H,2-5,8-9H2,1H3
InChIKeyJNRAGBCDYSUWBL-UHFFFAOYSA-N
XLogP1.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethylpiperidin-3-amine
CID 66162353
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-ethylpiperidin-3-amine
CID 61170965
N-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine
CID 61169601
N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine
CID 79978789
1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine
CID 61171344
1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine
CID 61170766
1-(1-ethylpyrrolidin-3-yl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760477
1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine
CID 61171932
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpiperidin-3-amine
CID 61171948
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 61169019
4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
CID 62758802
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-ethylpiperidin-3-amine
CID 83082207

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine?
The IUPAC name of 1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine (CID 62759751) is 1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine.
What is the SMILES notation for 1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine?
The canonical SMILES for 1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine is CCN1CCCC(NCc2cncnc2)C1.
What is the InChIKey of 1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine?
The InChIKey is JNRAGBCDYSUWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-16-5-3-4-12(9-16)15-8-11-6-13-10-14-7-11/h6-7,10,12,15H,2-5,8-9H2,1H3.
What are the key properties of 1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine?
1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 62759751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).