6-hydrazinyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-2,4-diamine

C11H22N6O — CID 80903582

IUPAC6-hydrazinyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-2,4-diamine
SMILESCC(C)CCOCCNc1cc(NN)nc(N)n1
InChIInChI=1S/C11H22N6O/c1-8(2)3-5-18-6-4-14-9-7-10(17-13)16-11(12)15-9/h7-8H,3-6,13H2,1-2H3,(H4,12,14,15,16,17)
InChIKeyPASAYRWEVJCSPH-UHFFFAOYSA-N
MW254.34 g/mol
LogP0.82
Rot. Bonds8

About 6-hydrazinyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-2,4-diamine

6-hydrazinyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-2,4-diamine (PubChem CID 80903582) has the molecular formula C11H22N6O and a molecular weight of 254.34 g/mol. Its IUPAC name is 6-hydrazinyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-2,4-diamine
PubChem CID80903582
Molecular FormulaC11H22N6O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name6-hydrazinyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-2,4-diamine
SMILESCC(C)CCOCCNc1cc(NN)nc(N)n1
InChIInChI=1S/C11H22N6O/c1-8(2)3-5-18-6-4-14-9-7-10(17-13)16-11(12)15-9/h7-8H,3-6,13H2,1-2H3,(H4,12,14,15,16,17)
InChIKeyPASAYRWEVJCSPH-UHFFFAOYSA-N
XLogP0.82
TPSA111.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine
CID 82946500
6-hydrazinyl-2-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80932318
6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine
CID 80969046
2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
CID 80825945
6-hydrazinyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
CID 107871833
6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80819787
4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80932754
2-ethyl-6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-amine
CID 80938072
2-[2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 80937148
2-N-ethyl-6-N-[2-(3-methylbutoxy)ethyl]pyridine-2,6-diamine
CID 80820194
2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80969047
6-hydrazinyl-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 80932180

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-2,4-diamine (CID 80903582) is 6-hydrazinyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-2,4-diamine is CC(C)CCOCCNc1cc(NN)nc(N)n1.
What is the InChIKey of 6-hydrazinyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-2,4-diamine?
The InChIKey is PASAYRWEVJCSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O/c1-8(2)3-5-18-6-4-14-9-7-10(17-13)16-11(12)15-9/h7-8H,3-6,13H2,1-2H3,(H4,12,14,15,16,17).
What are the key properties of 6-hydrazinyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-2,4-diamine?
6-hydrazinyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-2,4-diamine has a molecular weight of 254.34 g/mol, XLogP of 0.82, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80903582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).