4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine

C12H16N6O — CID 80831217

IUPAC4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine
SMILESCNc1cc(NCc2ccnc(OC)c2)nc(N)n1
InChIInChI=1S/C12H16N6O/c1-14-9-6-10(18-12(13)17-9)16-7-8-3-4-15-11(5-8)19-2/h3-6H,7H2,1-2H3,(H4,13,14,16,17,18)
InChIKeyWIXKILWWFRZLPG-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.12
Rot. Bonds5

About 4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine

4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine (PubChem CID 80831217) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine
PubChem CID80831217
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine
SMILESCNc1cc(NCc2ccnc(OC)c2)nc(N)n1
InChIInChI=1S/C12H16N6O/c1-14-9-6-10(18-12(13)17-9)16-7-8-3-4-15-11(5-8)19-2/h3-6H,7H2,1-2H3,(H4,13,14,16,17,18)
InChIKeyWIXKILWWFRZLPG-UHFFFAOYSA-N
XLogP1.12
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine with MolForge

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Related Compounds

2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine
CID 78988760
6-hydrazinyl-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine
CID 80914693
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
3,4-difluoro-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
CID 62991499
6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80831001
4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80831883
4-N-[(2-methoxy-4-pyridinyl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80808945
4-N-[(2-methoxy-4-pyridinyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80831708
6-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carbothioamide
CID 62989476
4-bromo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
CID 65342517
6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 113268079
4-N-[(3-fluorophenyl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 114053013

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine (CID 80831217) is 4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine is CNc1cc(NCc2ccnc(OC)c2)nc(N)n1.
What is the InChIKey of 4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is WIXKILWWFRZLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-14-9-6-10(18-12(13)17-9)16-7-8-3-4-15-11(5-8)19-2/h3-6H,7H2,1-2H3,(H4,13,14,16,17,18).
What are the key properties of 4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine?
4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 260.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80831217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).