2-(N-ethyl-2-methylanilino)-6-methylpyrimidine-4-carboximidamide

C15H19N5 — CID 107550077

IUPAC2-(N-ethyl-2-methylanilino)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(CC)c2ccccc2C)n1
InChIInChI=1S/C15H19N5/c1-4-20(13-8-6-5-7-10(13)2)15-18-11(3)9-12(19-15)14(16)17/h5-9H,4H2,1-3H3,(H3,16,17)
InChIKeyYWKRCTQKIFURLO-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.54
Rot. Bonds4

About 2-(N-ethyl-2-methylanilino)-6-methylpyrimidine-4-carboximidamide

2-(N-ethyl-2-methylanilino)-6-methylpyrimidine-4-carboximidamide (PubChem CID 107550077) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(N-ethyl-2-methylanilino)-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(N-ethyl-2-methylanilino)-6-methylpyrimidine-4-carboximidamide
PubChem CID107550077
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-(N-ethyl-2-methylanilino)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(CC)c2ccccc2C)n1
InChIInChI=1S/C15H19N5/c1-4-20(13-8-6-5-7-10(13)2)15-18-11(3)9-12(19-15)14(16)17/h5-9H,4H2,1-3H3,(H3,16,17)
InChIKeyYWKRCTQKIFURLO-UHFFFAOYSA-N
XLogP2.54
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.54
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'}

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Related Compounds

2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide
CID 107550514
2-(dibutylamino)-6-methylpyrimidine-4-carboximidamide
CID 107550121
2-(N-ethyl-2-methylanilino)pyridine-4-carboximidamide
CID 24700128
2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550214
2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550677
2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550536
2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550138
6-methyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboximidamide
CID 107551838
2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide
CID 107550456
2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550128
6-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]pyrimidine-4-carboximidamide
CID 107550627
2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide
CID 107550871

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-2-methylanilino)-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-(N-ethyl-2-methylanilino)-6-methylpyrimidine-4-carboximidamide (CID 107550077) is 2-(N-ethyl-2-methylanilino)-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(N-ethyl-2-methylanilino)-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-(N-ethyl-2-methylanilino)-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N(CC)c2ccccc2C)n1.
What is the InChIKey of 2-(N-ethyl-2-methylanilino)-6-methylpyrimidine-4-carboximidamide?
The InChIKey is YWKRCTQKIFURLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-4-20(13-8-6-5-7-10(13)2)15-18-11(3)9-12(19-15)14(16)17/h5-9H,4H2,1-3H3,(H3,16,17).
What are the key properties of 2-(N-ethyl-2-methylanilino)-6-methylpyrimidine-4-carboximidamide?
2-(N-ethyl-2-methylanilino)-6-methylpyrimidine-4-carboximidamide has a molecular weight of 269.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-2-methylanilino)-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107550077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).