1-N-[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-2-N,2-N-dimethylbenzene-1,2-diamine

C14H20N6O — CID 106761121

IUPAC1-N-[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCOCc1nc(NN)cc(Nc2ccccc2N(C)C)n1
InChIInChI=1S/C14H20N6O/c1-20(2)11-7-5-4-6-10(11)16-12-8-13(19-15)18-14(17-12)9-21-3/h4-8H,9,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyJFTPNQKDFHUWGT-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.72
Rot. Bonds6

About 1-N-[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 106761121) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-N-[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID106761121
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name1-N-[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCOCc1nc(NN)cc(Nc2ccccc2N(C)C)n1
InChIInChI=1S/C14H20N6O/c1-20(2)11-7-5-4-6-10(11)16-12-8-13(19-15)18-14(17-12)9-21-3/h4-8H,9,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyJFTPNQKDFHUWGT-UHFFFAOYSA-N
XLogP1.72
TPSA88.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.72
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-N-[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-2-N,2-N-dimethylbenzene-1,2-diamine (CID 106761121) is 1-N-[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-2-N,2-N-dimethylbenzene-1,2-diamine is COCc1nc(NN)cc(Nc2ccccc2N(C)C)n1.
What is the InChIKey of 1-N-[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is JFTPNQKDFHUWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-20(2)11-7-5-4-6-10(11)16-12-8-13(19-15)18-14(17-12)9-21-3/h4-8H,9,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 1-N-[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 288.36 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 106761121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).