6-hydrazinyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine

C9H13N7S — CID 80896903

IUPAC6-hydrazinyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1csc(CNc2cc(NN)nc(N)n2)n1
InChIInChI=1S/C9H13N7S/c1-5-4-17-8(13-5)3-12-6-2-7(16-11)15-9(10)14-6/h2,4H,3,11H2,1H3,(H4,10,12,14,15,16)
InChIKeyOARAUAMJGFCTGI-UHFFFAOYSA-N
MW251.32 g/mol
LogP0.72
Rot. Bonds4

About 6-hydrazinyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine

6-hydrazinyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80896903) has the molecular formula C9H13N7S and a molecular weight of 251.32 g/mol. Its IUPAC name is 6-hydrazinyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80896903
Molecular FormulaC9H13N7S
Molecular Weight251.32 g/mol
Exact Mass251.10
IUPAC Name6-hydrazinyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1csc(CNc2cc(NN)nc(N)n2)n1
InChIInChI=1S/C9H13N7S/c1-5-4-17-8(13-5)3-12-6-2-7(16-11)15-9(10)14-6/h2,4H,3,11H2,1H3,(H4,10,12,14,15,16)
InChIKeyOARAUAMJGFCTGI-UHFFFAOYSA-N
XLogP0.72
TPSA114.77 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80807651
2-tert-butyl-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 80964799
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
CID 115750507
2,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 60733823
4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80931350
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60733825
2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80807969
5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-amine
CID 106549584
2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80961678
5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine
CID 114475451
6-hydrazinyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80903751
6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80914412

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine (CID 80896903) is 6-hydrazinyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine is Cc1csc(CNc2cc(NN)nc(N)n2)n1.
What is the InChIKey of 6-hydrazinyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is OARAUAMJGFCTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7S/c1-5-4-17-8(13-5)3-12-6-2-7(16-11)15-9(10)14-6/h2,4H,3,11H2,1H3,(H4,10,12,14,15,16).
What are the key properties of 6-hydrazinyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine?
6-hydrazinyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 251.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80896903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).