N-hexan-3-yl-2-hydrazinyl-5-methylpyrimidin-4-amine

C11H21N5 — CID 80908190

IUPACN-hexan-3-yl-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCCC(CC)Nc1nc(NN)ncc1C
InChIInChI=1S/C11H21N5/c1-4-6-9(5-2)14-10-8(3)7-13-11(15-10)16-12/h7,9H,4-6,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyZLFXGWUQKZKZKM-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.06
Rot. Bonds6

About N-hexan-3-yl-2-hydrazinyl-5-methylpyrimidin-4-amine

N-hexan-3-yl-2-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 80908190) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-hexan-3-yl-2-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-hexan-3-yl-2-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID80908190
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN-hexan-3-yl-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCCC(CC)Nc1nc(NN)ncc1C
InChIInChI=1S/C11H21N5/c1-4-6-9(5-2)14-10-8(3)7-13-11(15-10)16-12/h7,9H,4-6,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyZLFXGWUQKZKZKM-UHFFFAOYSA-N
XLogP2.06
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-N-hexan-3-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80817968
4-N-hexan-3-yl-5-methylpyrimidine-2,4-diamine
CID 80818217
5-bromo-2-hydrazinyl-N-octan-4-ylpyrimidin-4-amine
CID 106026014
4-N-hexan-3-yl-2-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)-5-methylpyrimidine-2,4-diamine
CID 155572737
3-ethyl-1-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 106289054
5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80932768
2-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80898011
5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine
CID 79718700
5-fluoro-N-hexan-3-ylpyrimidin-2-amine
CID 115750039
2-hydrazinyl-5-methyl-N-(7-methyloctyl)pyrimidin-4-amine
CID 107819142
2-hydrazinyl-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 80917854
2-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81006064

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-2-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-hexan-3-yl-2-hydrazinyl-5-methylpyrimidin-4-amine (CID 80908190) is N-hexan-3-yl-2-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-hexan-3-yl-2-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-hexan-3-yl-2-hydrazinyl-5-methylpyrimidin-4-amine is CCCC(CC)Nc1nc(NN)ncc1C.
What is the InChIKey of N-hexan-3-yl-2-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is ZLFXGWUQKZKZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-4-6-9(5-2)14-10-8(3)7-13-11(15-10)16-12/h7,9H,4-6,12H2,1-3H3,(H2,13,14,15,16).
What are the key properties of N-hexan-3-yl-2-hydrazinyl-5-methylpyrimidin-4-amine?
N-hexan-3-yl-2-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-2-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80908190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).