6-N-[(6-methoxy-3-pyridinyl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine

C13H17N5O — CID 122282197

IUPAC6-N-[(6-methoxy-3-pyridinyl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(N(C)C)ncn2)cn1
InChIInChI=1S/C13H17N5O/c1-18(2)12-6-11(16-9-17-12)14-7-10-4-5-13(19-3)15-8-10/h4-6,8-9H,7H2,1-3H3,(H,14,16,17)
InChIKeyUMGZSLRAHWFZJB-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.56
Rot. Bonds5

About 6-N-[(6-methoxy-3-pyridinyl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine

6-N-[(6-methoxy-3-pyridinyl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 122282197) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-N-[(6-methoxy-3-pyridinyl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(6-methoxy-3-pyridinyl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID122282197
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name6-N-[(6-methoxy-3-pyridinyl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(N(C)C)ncn2)cn1
InChIInChI=1S/C13H17N5O/c1-18(2)12-6-11(16-9-17-12)14-7-10-4-5-13(19-3)15-8-10/h4-6,8-9H,7H2,1-3H3,(H,14,16,17)
InChIKeyUMGZSLRAHWFZJB-UHFFFAOYSA-N
XLogP1.56
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-N-[(6-methoxy-3-pyridinyl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine with MolForge

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Related Compounds

6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 55140338
N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282422
6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 102080311
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine
CID 115773877
N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 60710836
N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
CID 107588350
2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine
CID 62989531
2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 133331625
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
[(2S)-1-[6-[(6-methoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763878
N-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine
CID 62490095
ethane;N-[(6-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyridin-2-amine
CID 143898459

Frequently Asked Questions

What is the IUPAC name of 6-N-[(6-methoxy-3-pyridinyl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(6-methoxy-3-pyridinyl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (CID 122282197) is 6-N-[(6-methoxy-3-pyridinyl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(6-methoxy-3-pyridinyl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(6-methoxy-3-pyridinyl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is COc1ccc(CNc2cc(N(C)C)ncn2)cn1.
What is the InChIKey of 6-N-[(6-methoxy-3-pyridinyl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is UMGZSLRAHWFZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-18(2)12-6-11(16-9-17-12)14-7-10-4-5-13(19-3)15-8-10/h4-6,8-9H,7H2,1-3H3,(H,14,16,17).
What are the key properties of 6-N-[(6-methoxy-3-pyridinyl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
6-N-[(6-methoxy-3-pyridinyl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 259.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(6-methoxy-3-pyridinyl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 122282197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).