2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine

C16H29N5 — CID 115565442

IUPAC2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine
SMILESCCCCCCCCNc1nc(C2CC2)nc(NN)c1C
InChIInChI=1S/C16H29N5/c1-3-4-5-6-7-8-11-18-14-12(2)15(21-17)20-16(19-14)13-9-10-13/h13H,3-11,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyLCDQGBPKWVWVNG-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.72
Rot. Bonds10

About 2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine

2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine (PubChem CID 115565442) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine
PubChem CID115565442
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine
SMILESCCCCCCCCNc1nc(C2CC2)nc(NN)c1C
InChIInChI=1S/C16H29N5/c1-3-4-5-6-7-8-11-18-14-12(2)15(21-17)20-16(19-14)13-9-10-13/h13H,3-11,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyLCDQGBPKWVWVNG-UHFFFAOYSA-N
XLogP3.72
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine
CID 80985625
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
N-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007682
4-N-butyl-2-cyclopropyl-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80981195
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-4-amine
CID 81006052
6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine
CID 115565447
N-(2-cyclohexylethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80994713
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341084
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
CID 80994731
2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine
CID 80968524
ethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80995205
2-cyclopropyl-5-methyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980633

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine (CID 115565442) is 2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine is CCCCCCCCNc1nc(C2CC2)nc(NN)c1C.
What is the InChIKey of 2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine?
The InChIKey is LCDQGBPKWVWVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-3-4-5-6-7-8-11-18-14-12(2)15(21-17)20-16(19-14)13-9-10-13/h13H,3-11,17H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine?
2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.72, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine is sourced from PubChem (CID 115565442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).