2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine

C13H17N5O — CID 80908069

IUPAC2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
SMILESCCCOc1ccc(Nc2ccnc(NN)n2)cc1
InChIInChI=1S/C13H17N5O/c1-2-9-19-11-5-3-10(4-6-11)16-12-7-8-15-13(17-12)18-14/h3-8H,2,9,14H2,1H3,(H2,15,16,17,18)
InChIKeyBCTFSZRXLSJUFM-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.29
Rot. Bonds6

About 2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine

2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine (PubChem CID 80908069) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
PubChem CID80908069
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
SMILESCCCOc1ccc(Nc2ccnc(NN)n2)cc1
InChIInChI=1S/C13H17N5O/c1-2-9-19-11-5-3-10(4-6-11)16-12-7-8-15-13(17-12)18-14/h3-8H,2,9,14H2,1H3,(H2,15,16,17,18)
InChIKeyBCTFSZRXLSJUFM-UHFFFAOYSA-N
XLogP2.29
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.29
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

5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80908587
6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80907992
N-(3-ethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80905017
2-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112904932
4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886293
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112899527
2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112904866
3-N-(4-propoxyphenyl)pyrazine-2,3-diamine
CID 102986304
4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride
CID 20997997
2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905183
4-N-(4-ethoxyphenyl)-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 112903465
2-N-butyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883119

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine (CID 80908069) is 2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine is CCCOc1ccc(Nc2ccnc(NN)n2)cc1.
What is the InChIKey of 2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine?
The InChIKey is BCTFSZRXLSJUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-9-19-11-5-3-10(4-6-11)16-12-7-8-15-13(17-12)18-14/h3-8H,2,9,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine?
2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80908069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).