6-hydrazinyl-2,5-dimethyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine

C13H18N6 — CID 80906911

IUPAC6-hydrazinyl-2,5-dimethyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCc1nc(NN)c(C)c(NC(C)c2ccncc2)n1
InChIInChI=1S/C13H18N6/c1-8-12(17-10(3)18-13(8)19-14)16-9(2)11-4-6-15-7-5-11/h4-7,9H,14H2,1-3H3,(H2,16,17,18,19)
InChIKeyHNBCSUAVZWCRMJ-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.95
Rot. Bonds4

About 6-hydrazinyl-2,5-dimethyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine

6-hydrazinyl-2,5-dimethyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine (PubChem CID 80906911) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 6-hydrazinyl-2,5-dimethyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-2,5-dimethyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
PubChem CID80906911
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name6-hydrazinyl-2,5-dimethyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCc1nc(NN)c(C)c(NC(C)c2ccncc2)n1
InChIInChI=1S/C13H18N6/c1-8-12(17-10(3)18-13(8)19-14)16-9(2)11-4-6-15-7-5-11/h4-7,9H,14H2,1-3H3,(H2,16,17,18,19)
InChIKeyHNBCSUAVZWCRMJ-UHFFFAOYSA-N
XLogP1.95
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.95
H-Bond Donors ≤ 53
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

6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 80924119
5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80994228
6-hydrazinyl-2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80904535
3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 106659554
5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80781986
4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80802407
6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 63729135
3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]butan-1-ol
CID 83180147
6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80896820
5-chloro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80781987
6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
CID 66325049
6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 106193534

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-2,5-dimethyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-2,5-dimethyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine (CID 80906911) is 6-hydrazinyl-2,5-dimethyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-2,5-dimethyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-2,5-dimethyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine is Cc1nc(NN)c(C)c(NC(C)c2ccncc2)n1.
What is the InChIKey of 6-hydrazinyl-2,5-dimethyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is HNBCSUAVZWCRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-8-12(17-10(3)18-13(8)19-14)16-9(2)11-4-6-15-7-5-11/h4-7,9H,14H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-hydrazinyl-2,5-dimethyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine?
6-hydrazinyl-2,5-dimethyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 258.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2,5-dimethyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80906911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).