4,6-dihydrazinyl-N-(2-phenylethyl)pyrimidin-2-amine

C12H17N7 — CID 139976102

IUPAC4,6-dihydrazinyl-N-(2-phenylethyl)pyrimidin-2-amine
SMILESNNc1cc(NN)nc(NCCc2ccccc2)n1
InChIInChI=1S/C12H17N7/c13-18-10-8-11(19-14)17-12(16-10)15-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,13-14H2,(H3,15,16,17,18,19)
InChIKeyXMDXCWBZABJJAD-UHFFFAOYSA-N
MW259.32 g/mol
LogP0.70
Rot. Bonds6

About 4,6-dihydrazinyl-N-(2-phenylethyl)pyrimidin-2-amine

4,6-dihydrazinyl-N-(2-phenylethyl)pyrimidin-2-amine (PubChem CID 139976102) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 4,6-dihydrazinyl-N-(2-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dihydrazinyl-N-(2-phenylethyl)pyrimidin-2-amine
PubChem CID139976102
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name4,6-dihydrazinyl-N-(2-phenylethyl)pyrimidin-2-amine
SMILESNNc1cc(NN)nc(NCCc2ccccc2)n1
InChIInChI=1S/C12H17N7/c13-18-10-8-11(19-14)17-12(16-10)15-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,13-14H2,(H3,15,16,17,18,19)
InChIKeyXMDXCWBZABJJAD-UHFFFAOYSA-N
XLogP0.70
TPSA113.91 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 50.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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-hydrazinyl-N-(2-phenylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80968187
6-methyl-4-N-phenyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920202
6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920056
4-[2-[[4-(benzylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 134088617
3-N,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952784
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920032
6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
CID 80777642
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112915130
6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 80778104
2-N-[3-(dimethylamino)propyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913622
9-benzyl-2-N-(2-phenylethyl)purine-2,6-diamine
CID 18332703
5-(4-methylphenyl)-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
CID 140545114

Frequently Asked Questions

What is the IUPAC name of 4,6-dihydrazinyl-N-(2-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dihydrazinyl-N-(2-phenylethyl)pyrimidin-2-amine (CID 139976102) is 4,6-dihydrazinyl-N-(2-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dihydrazinyl-N-(2-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dihydrazinyl-N-(2-phenylethyl)pyrimidin-2-amine is NNc1cc(NN)nc(NCCc2ccccc2)n1.
What is the InChIKey of 4,6-dihydrazinyl-N-(2-phenylethyl)pyrimidin-2-amine?
The InChIKey is XMDXCWBZABJJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c13-18-10-8-11(19-14)17-12(16-10)15-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,13-14H2,(H3,15,16,17,18,19).
What are the key properties of 4,6-dihydrazinyl-N-(2-phenylethyl)pyrimidin-2-amine?
4,6-dihydrazinyl-N-(2-phenylethyl)pyrimidin-2-amine has a molecular weight of 259.32 g/mol, XLogP of 0.70, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydrazinyl-N-(2-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 139976102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).