6-hydrazinyl-N,2,5-trimethyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine

C13H23N5O — CID 80910084

IUPAC6-hydrazinyl-N,2,5-trimethyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(NN)c(C)c(N(C)CC2CCOCC2)n1
InChIInChI=1S/C13H23N5O/c1-9-12(17-14)15-10(2)16-13(9)18(3)8-11-4-6-19-7-5-11/h11H,4-8,14H2,1-3H3,(H,15,16,17)
InChIKeyOHWOBAKYIYNPIJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.24
Rot. Bonds4

About 6-hydrazinyl-N,2,5-trimethyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine

6-hydrazinyl-N,2,5-trimethyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine (PubChem CID 80910084) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-hydrazinyl-N,2,5-trimethyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N,2,5-trimethyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
PubChem CID80910084
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name6-hydrazinyl-N,2,5-trimethyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(NN)c(C)c(N(C)CC2CCOCC2)n1
InChIInChI=1S/C13H23N5O/c1-9-12(17-14)15-10(2)16-13(9)18(3)8-11-4-6-19-7-5-11/h11H,4-8,14H2,1-3H3,(H,15,16,17)
InChIKeyOHWOBAKYIYNPIJ-UHFFFAOYSA-N
XLogP1.24
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80798270
6-hydrazinyl-N,2,5-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 80913259
N-cyclopropyl-N-(cyclopropylmethyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80917857
N-(cyclobutylmethyl)-2-ethyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 81006190
2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 81006290
4-N-(cyclopropylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80798139
2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80984918
6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80846682
2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]ethanol
CID 80944403
6-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)-5-propylpyrimidin-4-amine
CID 80910226
4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80825264
N-cyclopropyl-N-ethyl-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80944707

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N,2,5-trimethyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N,2,5-trimethyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine (CID 80910084) is 6-hydrazinyl-N,2,5-trimethyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N,2,5-trimethyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N,2,5-trimethyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine is Cc1nc(NN)c(C)c(N(C)CC2CCOCC2)n1.
What is the InChIKey of 6-hydrazinyl-N,2,5-trimethyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is OHWOBAKYIYNPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9-12(17-14)15-10(2)16-13(9)18(3)8-11-4-6-19-7-5-11/h11H,4-8,14H2,1-3H3,(H,15,16,17).
What are the key properties of 6-hydrazinyl-N,2,5-trimethyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine?
6-hydrazinyl-N,2,5-trimethyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 265.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N,2,5-trimethyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80910084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).