4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine

C16H18N6O — CID 22539468

IUPAC4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
SMILESCc1cc(Nc2ncnc(N(C)Cc3ccccc3)c2N)no1
InChIInChI=1S/C16H18N6O/c1-11-8-13(21-23-11)20-15-14(17)16(19-10-18-15)22(2)9-12-6-4-3-5-7-12/h3-8,10H,9,17H2,1-2H3,(H,18,19,20,21)
InChIKeyOQSLITKUSYQRPN-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.74
Rot. Bonds5

About 4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine

4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine (PubChem CID 22539468) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
PubChem CID22539468
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
SMILESCc1cc(Nc2ncnc(N(C)Cc3ccccc3)c2N)no1
InChIInChI=1S/C16H18N6O/c1-11-8-13(21-23-11)20-15-14(17)16(19-10-18-15)22(2)9-12-6-4-3-5-7-12/h3-8,10H,9,17H2,1-2H3,(H,18,19,20,21)
InChIKeyOQSLITKUSYQRPN-UHFFFAOYSA-N
XLogP2.74
TPSA93.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22539657
4-N,4-N-dimethyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540452
4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539704
4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 22539498
4-N-benzyl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-methylpyrimidine-4,5,6-triamine
CID 22539575
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22540502
4-N-benzyl-6-N-(2-chloro-3-pyridinyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 22539688
4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 22539520
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine
CID 22539506
4-N,4-N-dibenzyl-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22545111
N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 80917919
4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,5,6-triamine
CID 22539666

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine (CID 22539468) is 4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine is Cc1cc(Nc2ncnc(N(C)Cc3ccccc3)c2N)no1.
What is the InChIKey of 4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine?
The InChIKey is OQSLITKUSYQRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-11-8-13(21-23-11)20-15-14(17)16(19-10-18-15)22(2)9-12-6-4-3-5-7-12/h3-8,10H,9,17H2,1-2H3,(H,18,19,20,21).
What are the key properties of 4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine?
4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine has a molecular weight of 310.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22539468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).