4-(3-aminophenyl)-2-chloro-5-fluoro-1H-pyrimidin-4-amine

C10H10ClFN4 — CID 67233537

IUPAC4-(3-aminophenyl)-2-chloro-5-fluoro-1H-pyrimidin-4-amine
SMILESNc1cccc(C2(N)N=C(Cl)NC=C2F)c1
InChIInChI=1S/C10H10ClFN4/c11-9-15-5-8(12)10(14,16-9)6-2-1-3-7(13)4-6/h1-5H,13-14H2,(H,15,16)
InChIKeyJILVXOGQKVDTJX-UHFFFAOYSA-N
MW240.67 g/mol
LogP1.39
Rot. Bonds1

About 4-(3-aminophenyl)-2-chloro-5-fluoro-1H-pyrimidin-4-amine

4-(3-aminophenyl)-2-chloro-5-fluoro-1H-pyrimidin-4-amine (PubChem CID 67233537) has the molecular formula C10H10ClFN4 and a molecular weight of 240.67 g/mol. Its IUPAC name is 4-(3-aminophenyl)-2-chloro-5-fluoro-1H-pyrimidin-4-amine.

Molecular Properties

Compound Name4-(3-aminophenyl)-2-chloro-5-fluoro-1H-pyrimidin-4-amine
PubChem CID67233537
Molecular FormulaC10H10ClFN4
Molecular Weight240.67 g/mol
Exact Mass240.06
IUPAC Name4-(3-aminophenyl)-2-chloro-5-fluoro-1H-pyrimidin-4-amine
SMILESNc1cccc(C2(N)N=C(Cl)NC=C2F)c1
InChIInChI=1S/C10H10ClFN4/c11-9-15-5-8(12)10(14,16-9)6-2-1-3-7(13)4-6/h1-5H,13-14H2,(H,15,16)
InChIKeyJILVXOGQKVDTJX-UHFFFAOYSA-N
XLogP1.39
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(3-Aminomethyl-phenyl)-2-fluoro-acetamidine
CID 10176386
N-[3-(2-Amino-ethyl)-phenyl]-acetamidine
CID 10562607
N-(3-Methylaminomethyl-phenyl)-acetamidine
CID 10569061
2-Amino-N-(3-aminomethyl-phenyl)-acetamidine
CID 10788294
N-(3-Aminomethyl-phenyl)-acetamidine
CID 18356525
N'-[3-(aminomethyl)phenyl]-2-fluoroethanimidamide;dihydrobromide
CID 10427532
Amino(imino{[3-(trifluoromethyl)phenyl]amino}methyl)carboxamidine, chloride
CID 136187684
BIGUANIDE, 1-(m-TOLYL)-, HYDROCHLORIDE
CID 135624055
2-[3-(Aminomethyl)phenyl]-1-hydroxyguanidine;dihydrochloride
CID 49861221
3-Aminobenzylguanidine
CID 130322
1-[3-(Trifluoromethyl)phenyl]biguanide
CID 2730196
1-[3-Trifluoromethylphenyl]guanidinium
CID 36688401

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-2-chloro-5-fluoro-1H-pyrimidin-4-amine?
The IUPAC name of 4-(3-aminophenyl)-2-chloro-5-fluoro-1H-pyrimidin-4-amine (CID 67233537) is 4-(3-aminophenyl)-2-chloro-5-fluoro-1H-pyrimidin-4-amine.
What is the SMILES notation for 4-(3-aminophenyl)-2-chloro-5-fluoro-1H-pyrimidin-4-amine?
The canonical SMILES for 4-(3-aminophenyl)-2-chloro-5-fluoro-1H-pyrimidin-4-amine is Nc1cccc(C2(N)N=C(Cl)NC=C2F)c1.
What is the InChIKey of 4-(3-aminophenyl)-2-chloro-5-fluoro-1H-pyrimidin-4-amine?
The InChIKey is JILVXOGQKVDTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4/c11-9-15-5-8(12)10(14,16-9)6-2-1-3-7(13)4-6/h1-5H,13-14H2,(H,15,16).
What are the key properties of 4-(3-aminophenyl)-2-chloro-5-fluoro-1H-pyrimidin-4-amine?
4-(3-aminophenyl)-2-chloro-5-fluoro-1H-pyrimidin-4-amine has a molecular weight of 240.67 g/mol, XLogP of 1.39, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-2-chloro-5-fluoro-1H-pyrimidin-4-amine is sourced from PubChem (CID 67233537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).