6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine

C14H14N6 — CID 19145042

IUPAC6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine
SMILESNNc1ncnc(Nc2cccc3ccccc23)c1N
InChIInChI=1S/C14H14N6/c15-12-13(17-8-18-14(12)20-16)19-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,15-16H2,(H2,17,18,19,20)
InChIKeyPSKXLWWWOZABSU-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.24
Rot. Bonds3

About 6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine

6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine (PubChem CID 19145042) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine
PubChem CID19145042
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine
SMILESNNc1ncnc(Nc2cccc3ccccc23)c1N
InChIInChI=1S/C14H14N6/c15-12-13(17-8-18-14(12)20-16)19-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,15-16H2,(H2,17,18,19,20)
InChIKeyPSKXLWWWOZABSU-UHFFFAOYSA-N
XLogP2.24
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.24
H-Bond Donors ≤ 54
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-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145076
6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144720
6-N-hexadecyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 19142376
4-N-(4-methyl-2-pyridinyl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545164
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22540502
4-N-(4-methylpiperazin-1-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 19144015
6-N-(3-chloro-4-methylphenyl)-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22546620
N'-[5-amino-6-(naphthalen-1-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19145054
6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine
CID 80768828
N-naphthalen-1-ylisoquinolin-1-amine
CID 3677376
5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine
CID 80930813
6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine
CID 63734571

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine?
The IUPAC name of 6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine (CID 19145042) is 6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine?
The canonical SMILES for 6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine is NNc1ncnc(Nc2cccc3ccccc23)c1N.
What is the InChIKey of 6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine?
The InChIKey is PSKXLWWWOZABSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c15-12-13(17-8-18-14(12)20-16)19-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,15-16H2,(H2,17,18,19,20).
What are the key properties of 6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine?
6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine has a molecular weight of 266.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 19145042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).