4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine

C10H10ClN5 — CID 23477516

IUPAC4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1NNc1ccccc1
InChIInChI=1S/C10H10ClN5/c11-9-8(12)10(14-6-13-9)16-15-7-4-2-1-3-5-7/h1-6,15H,12H2,(H,13,14,16)
InChIKeyNQTLOHOZGNTBFU-UHFFFAOYSA-N
MW235.68 g/mol
LogP2.15
Rot. Bonds3

About 4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine

4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine (PubChem CID 23477516) has the molecular formula C10H10ClN5 and a molecular weight of 235.68 g/mol. Its IUPAC name is 4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine
PubChem CID23477516
Molecular FormulaC10H10ClN5
Molecular Weight235.68 g/mol
Exact Mass235.06
IUPAC Name4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1NNc1ccccc1
InChIInChI=1S/C10H10ClN5/c11-9-8(12)10(14-6-13-9)16-15-7-4-2-1-3-5-7/h1-6,15H,12H2,(H,13,14,16)
InChIKeyNQTLOHOZGNTBFU-UHFFFAOYSA-N
XLogP2.15
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.68
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-benzyl-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19136176
4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19144376
4-N-(2-methylphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144322
4-N-(4-aminophenyl)-6-chloropyrimidine-4,5-diamine
CID 143942387
4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144334
4-[[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]amino]benzoic acid
CID 19144421
4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144325
4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine
CID 23477594
N-[(5-amino-6-chloropyrimidin-4-yl)amino]formamide
CID 522919
4-(2-phenylhydrazinyl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
CID 19138730
4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144412
6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 63021888

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine?
The IUPAC name of 4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine (CID 23477516) is 4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine is Nc1c(Cl)ncnc1NNc1ccccc1.
What is the InChIKey of 4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine?
The InChIKey is NQTLOHOZGNTBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5/c11-9-8(12)10(14-6-13-9)16-15-7-4-2-1-3-5-7/h1-6,15H,12H2,(H,13,14,16).
What are the key properties of 4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine?
4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine has a molecular weight of 235.68 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine is sourced from PubChem (CID 23477516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).