N-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine

C13H25N5 — CID 80907974

IUPACN-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine
SMILESCCCCC(C)Nc1ncnc(NN)c1CCC
InChIInChI=1S/C13H25N5/c1-4-6-8-10(3)17-12-11(7-5-2)13(18-14)16-9-15-12/h9-10H,4-8,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyPNBQTVPQTJCXAG-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.71
Rot. Bonds8

About N-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine

N-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine (PubChem CID 80907974) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine
PubChem CID80907974
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine
SMILESCCCCC(C)Nc1ncnc(NN)c1CCC
InChIInChI=1S/C13H25N5/c1-4-6-8-10(3)17-12-11(7-5-2)13(18-14)16-9-15-12/h9-10H,4-8,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyPNBQTVPQTJCXAG-UHFFFAOYSA-N
XLogP2.71
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.71
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

6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine
CID 80822476
3-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 80904538
4-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 80852827
N-heptan-2-yl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80897379
4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 80852754
6-hydrazinyl-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80897473
5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine
CID 80822887
6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine
CID 80839230
6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 80901929
5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
CID 80900314
N-(1-cyclohexylethyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80918571
6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-propylpyrimidin-4-amine
CID 80897937

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine?
The IUPAC name of N-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine (CID 80907974) is N-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine?
The canonical SMILES for N-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine is CCCCC(C)Nc1ncnc(NN)c1CCC.
What is the InChIKey of N-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine?
The InChIKey is PNBQTVPQTJCXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-4-6-8-10(3)17-12-11(7-5-2)13(18-14)16-9-15-12/h9-10H,4-8,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of N-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine?
N-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine has a molecular weight of 251.38 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80907974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).