2-N-(6-methoxy-2-pyridinyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

C13H17N5O — CID 157019644

IUPAC2-N-(6-methoxy-2-pyridinyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2ncc(C)c(N(C)C)n2)n1
InChIInChI=1S/C13H17N5O/c1-9-8-14-13(17-12(9)18(2)3)16-10-6-5-7-11(15-10)19-4/h5-8H,1-4H3,(H,14,15,16,17)
InChIKeyYCEUMYGNHWTWFG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.00
Rot. Bonds4

About 2-N-(6-methoxy-2-pyridinyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

2-N-(6-methoxy-2-pyridinyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine (PubChem CID 157019644) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-N-(6-methoxy-2-pyridinyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(6-methoxy-2-pyridinyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
PubChem CID157019644
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-N-(6-methoxy-2-pyridinyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2ncc(C)c(N(C)C)n2)n1
InChIInChI=1S/C13H17N5O/c1-9-8-14-13(17-12(9)18(2)3)16-10-6-5-7-11(15-10)19-4/h5-8H,1-4H3,(H,14,15,16,17)
InChIKeyYCEUMYGNHWTWFG-UHFFFAOYSA-N
XLogP2.00
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,4-N,5-trimethyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 157018110
2-N-[2-(dimethylamino)-3-pyridinyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157018593
2-[(6-methoxy-2-pyridinyl)amino]-3-methylphenol
CID 151918401
3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide
CID 157018298
2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]thiophene-3-carbonitrile
CID 157016716
4-N,4-N,5-trimethyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrimidine-2,4-diamine
CID 157019241
2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 134699655
2-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 95143763
6-methoxy-N-propan-2-ylpyridin-2-amine
CID 15593350
6-methoxy-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine
CID 79756545
2-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157015650
1-N-(6-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 63590945

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-methoxy-2-pyridinyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(6-methoxy-2-pyridinyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine (CID 157019644) is 2-N-(6-methoxy-2-pyridinyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(6-methoxy-2-pyridinyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(6-methoxy-2-pyridinyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine is COc1cccc(Nc2ncc(C)c(N(C)C)n2)n1.
What is the InChIKey of 2-N-(6-methoxy-2-pyridinyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The InChIKey is YCEUMYGNHWTWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-8-14-13(17-12(9)18(2)3)16-10-6-5-7-11(15-10)19-4/h5-8H,1-4H3,(H,14,15,16,17).
What are the key properties of 2-N-(6-methoxy-2-pyridinyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
2-N-(6-methoxy-2-pyridinyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine has a molecular weight of 259.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-methoxy-2-pyridinyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 157019644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).