2-hydrazinyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine

C14H17N5 — CID 80907834

IUPAC2-hydrazinyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
SMILESNNc1nccc(NC2CCCc3ccccc32)n1
InChIInChI=1S/C14H17N5/c15-19-14-16-9-8-13(18-14)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12H,3,5,7,15H2,(H2,16,17,18,19)
InChIKeyXMBDDTGWGCOMGI-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.25
Rot. Bonds3

About 2-hydrazinyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine

2-hydrazinyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine (PubChem CID 80907834) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-hydrazinyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
PubChem CID80907834
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Name2-hydrazinyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
SMILESNNc1nccc(NC2CCCc3ccccc32)n1
InChIInChI=1S/C14H17N5/c15-19-14-16-9-8-13(18-14)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12H,3,5,7,15H2,(H2,16,17,18,19)
InChIKeyXMBDDTGWGCOMGI-UHFFFAOYSA-N
XLogP2.25
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 60673860
2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 62784380
6-hydrazinyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine
CID 80908064
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 46570687
6-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 63590242
5-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 62304263
5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazine-2-carbonitrile
CID 63659094
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 62316564
4-N,4-N-dimethyl-6-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine
CID 122282114
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridazin-3-amine
CID 60674920
6-ethoxy-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine
CID 80797018
6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine
CID 80797635

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine (CID 80907834) is 2-hydrazinyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine is NNc1nccc(NC2CCCc3ccccc32)n1.
What is the InChIKey of 2-hydrazinyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The InChIKey is XMBDDTGWGCOMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c15-19-14-16-9-8-13(18-14)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12H,3,5,7,15H2,(H2,16,17,18,19).
What are the key properties of 2-hydrazinyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
2-hydrazinyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine has a molecular weight of 255.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80907834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).