6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine

C10H13N7 — CID 22542824

IUPAC6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
SMILESNNc1ncnc(NCc2cccnc2)c1N
InChIInChI=1S/C10H13N7/c11-8-9(15-6-16-10(8)17-12)14-5-7-2-1-3-13-4-7/h1-4,6H,5,11-12H2,(H2,14,15,16,17)
InChIKeyUKCGZWOHXCGHPW-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.35
Rot. Bonds4

About 6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine

6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 22542824) has the molecular formula C10H13N7 and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
PubChem CID22542824
Molecular FormulaC10H13N7
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
SMILESNNc1ncnc(NCc2cccnc2)c1N
InChIInChI=1S/C10H13N7/c11-8-9(15-6-16-10(8)17-12)14-5-7-2-1-3-13-4-7/h1-4,6H,5,11-12H2,(H2,14,15,16,17)
InChIKeyUKCGZWOHXCGHPW-UHFFFAOYSA-N
XLogP0.35
TPSA114.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.35
H-Bond Donors ≤ 54
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

4-N,4-N-dimethyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542727
6-N-(2-methoxyethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542825
6-hydrazinyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 23481340
4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542701
6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22542797
6-N-(pyridin-3-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22542878
6-(4-bromophenoxy)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542905
5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80771465
N'-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22542842
6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542884
methyl 4-[[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 22542814
6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430201

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine (CID 22542824) is 6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine is NNc1ncnc(NCc2cccnc2)c1N.
What is the InChIKey of 6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is UKCGZWOHXCGHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7/c11-8-9(15-6-16-10(8)17-12)14-5-7-2-1-3-13-4-7/h1-4,6H,5,11-12H2,(H2,14,15,16,17).
What are the key properties of 6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine?
6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 231.26 g/mol, XLogP of 0.35, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22542824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).