N-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine

C12H22N6 — CID 80897250

IUPACN-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCN1CCCC(Nc2nc(NN)ncc2C)C1
InChIInChI=1S/C12H22N6/c1-3-18-6-4-5-10(8-18)15-11-9(2)7-14-12(16-11)17-13/h7,10H,3-6,8,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyHNHBZQBSHDMJJA-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.97
Rot. Bonds4

About N-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine

N-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 80897250) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID80897250
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC NameN-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCN1CCCC(Nc2nc(NN)ncc2C)C1
InChIInChI=1S/C12H22N6/c1-3-18-6-4-5-10(8-18)15-11-9(2)7-14-12(16-11)17-13/h7,10H,3-6,8,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyHNHBZQBSHDMJJA-UHFFFAOYSA-N
XLogP0.97
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-N-(1-ethylpiperidin-3-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80995326
5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80800762
4-N-(1-ethylpiperidin-3-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326015
N-(1-ethylpiperidin-3-yl)-5,6-dimethylpyrazin-2-amine
CID 114475474
N-(1,1-dioxothian-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80898941
N-(1-ethylpiperidin-3-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80901082
3,5-dibromo-N-(1-ethylpiperidin-3-yl)pyridin-2-amine
CID 113413667
3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine
CID 103078216
N-(1-ethylpiperidin-3-yl)-2-methylpyrimidin-4-amine
CID 62786064
3,5-dichloro-2-N-ethyl-6-N-(1-ethylpiperidin-3-yl)pyridine-2,6-diamine
CID 102756946
2-N-(1-ethylpiperidin-3-yl)-6-methoxypyridine-2,3-diamine
CID 113286474
N-[(3R)-1-ethylpiperidin-3-yl]-1-methylpyrazolo[3,4-d]pyridazin-7-amine
CID 171783143

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine (CID 80897250) is N-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine is CCN1CCCC(Nc2nc(NN)ncc2C)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is HNHBZQBSHDMJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-3-18-6-4-5-10(8-18)15-11-9(2)7-14-12(16-11)17-13/h7,10H,3-6,8,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of N-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
N-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80897250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).