2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide

C15H18ClN5 — CID 107550456

IUPAC2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(C)C(C)c2ccccc2Cl)n1
InChIInChI=1S/C15H18ClN5/c1-9-8-13(14(17)18)20-15(19-9)21(3)10(2)11-6-4-5-7-12(11)16/h4-8,10H,1-3H3,(H3,17,18)
InChIKeyLEUMKWQQKLQNCZ-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.92
Rot. Bonds4

About 2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide

2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide (PubChem CID 107550456) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide
PubChem CID107550456
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC Name2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(C)C(C)c2ccccc2Cl)n1
InChIInChI=1S/C15H18ClN5/c1-9-8-13(14(17)18)20-15(19-9)21(3)10(2)11-6-4-5-7-12(11)16/h4-8,10H,1-3H3,(H3,17,18)
InChIKeyLEUMKWQQKLQNCZ-UHFFFAOYSA-N
XLogP2.92
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-chlorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide
CID 107930491
2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550128
2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550214
2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550677
2-(N-ethyl-2-methylanilino)-6-methylpyrimidine-4-carboximidamide
CID 107550077
2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyridine-4-carbothioamide
CID 114767632
6-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboximidamide
CID 107550091
2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide
CID 107550514
6-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]pyrimidine-4-carboximidamide
CID 107550627
2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide
CID 107550871
6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide
CID 64595166
3,5-dichloro-6-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyridine-2,6-diamine
CID 102758072

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide (CID 107550456) is 2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N(C)C(C)c2ccccc2Cl)n1.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide?
The InChIKey is LEUMKWQQKLQNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c1-9-8-13(14(17)18)20-15(19-9)21(3)10(2)11-6-4-5-7-12(11)16/h4-8,10H,1-3H3,(H3,17,18).
What are the key properties of 2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide?
2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide has a molecular weight of 303.80 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107550456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).