N-heptan-2-yl-6-hydrazinyl-5-methylpyrimidin-4-amine

C12H23N5 — CID 80897379

IUPACN-heptan-2-yl-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCCCCC(C)Nc1ncnc(NN)c1C
InChIInChI=1S/C12H23N5/c1-4-5-6-7-9(2)16-11-10(3)12(17-13)15-8-14-11/h8-9H,4-7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyPIJHLIWEVLZLHQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.45
Rot. Bonds7

About N-heptan-2-yl-6-hydrazinyl-5-methylpyrimidin-4-amine

N-heptan-2-yl-6-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 80897379) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-heptan-2-yl-6-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-heptan-2-yl-6-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID80897379
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-heptan-2-yl-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCCCCC(C)Nc1ncnc(NN)c1C
InChIInChI=1S/C12H23N5/c1-4-5-6-7-9(2)16-11-10(3)12(17-13)15-8-14-11/h8-9H,4-7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyPIJHLIWEVLZLHQ-UHFFFAOYSA-N
XLogP2.45
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.45
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

6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine
CID 80800865
6-hydrazinyl-2,5-dimethyl-N-octan-2-ylpyrimidin-4-amine
CID 80897483
N-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80907974
2-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82949727
N-heptan-2-ylquinazolin-4-amine
CID 54950682
5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80838810
4-N-heptan-2-yl-5-nitropyrimidine-4,6-diamine
CID 80803735
N-undecan-2-ylquinazolin-4-amine
CID 86111387
2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80896950
5-iodo-N-octan-2-ylpyrimidin-4-amine
CID 66340775
5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine
CID 80822887
6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine
CID 80822476

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-heptan-2-yl-6-hydrazinyl-5-methylpyrimidin-4-amine (CID 80897379) is N-heptan-2-yl-6-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-heptan-2-yl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-heptan-2-yl-6-hydrazinyl-5-methylpyrimidin-4-amine is CCCCCC(C)Nc1ncnc(NN)c1C.
What is the InChIKey of N-heptan-2-yl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is PIJHLIWEVLZLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-4-5-6-7-9(2)16-11-10(3)12(17-13)15-8-14-11/h8-9H,4-7,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of N-heptan-2-yl-6-hydrazinyl-5-methylpyrimidin-4-amine?
N-heptan-2-yl-6-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-6-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80897379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).