4-N-benzyl-6-N-(2-methoxyethyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine

C19H22N6O — CID 19150486

IUPAC4-N-benzyl-6-N-(2-methoxyethyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
SMILESCOCCNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1N
InChIInChI=1S/C19H22N6O/c1-26-12-11-22-18-17(20)19(24-14-23-18)25(16-9-5-6-10-21-16)13-15-7-3-2-4-8-15/h2-10,14H,11-13,20H2,1H3,(H,22,23,24)
InChIKeyCDLYETMWTTWASF-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.85
Rot. Bonds8

About 4-N-benzyl-6-N-(2-methoxyethyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine

4-N-benzyl-6-N-(2-methoxyethyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine (PubChem CID 19150486) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-N-benzyl-6-N-(2-methoxyethyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-benzyl-6-N-(2-methoxyethyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
PubChem CID19150486
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name4-N-benzyl-6-N-(2-methoxyethyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
SMILESCOCCNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1N
InChIInChI=1S/C19H22N6O/c1-26-12-11-22-18-17(20)19(24-14-23-18)25(16-9-5-6-10-21-16)13-15-7-3-2-4-8-15/h2-10,14H,11-13,20H2,1H3,(H,22,23,24)
InChIKeyCDLYETMWTTWASF-UHFFFAOYSA-N
XLogP2.85
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19153504
N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151774
4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19143230
4-N-benzyl-6-N-(4-fluorophenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19149049
4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19136839
4-N-benzyl-6-N-(4-chloro-2-methylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22546509
N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19151321
N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152191
4-N-benzyl-5-nitro-6-N-propyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 23487420
4-N-benzyl-6-N-(4-methyl-1,3-benzothiazol-2-yl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19150031
4-N-benzyl-6-phenylsulfanyl-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19149747
3-[[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
CID 19141525

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N-(2-methoxyethyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-benzyl-6-N-(2-methoxyethyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine (CID 19150486) is 4-N-benzyl-6-N-(2-methoxyethyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-benzyl-6-N-(2-methoxyethyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-benzyl-6-N-(2-methoxyethyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine is COCCNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1N.
What is the InChIKey of 4-N-benzyl-6-N-(2-methoxyethyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The InChIKey is CDLYETMWTTWASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-26-12-11-22-18-17(20)19(24-14-23-18)25(16-9-5-6-10-21-16)13-15-7-3-2-4-8-15/h2-10,14H,11-13,20H2,1H3,(H,22,23,24).
What are the key properties of 4-N-benzyl-6-N-(2-methoxyethyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
4-N-benzyl-6-N-(2-methoxyethyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine has a molecular weight of 350.43 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N-(2-methoxyethyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19150486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).