6-[6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3,5-triazine-2,4-diamine;methanol

C18H22N12O2 — CID 139091709

IUPAC6-[6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3,5-triazine-2,4-diamine;methanol
SMILESCO.CO.Nc1nc(N)nc(-c2ccc(-c3ccc(-c4nc(N)nc(N)n4)cn3)nc2)n1
InChIInChI=1S/C16H14N12.2CH4O/c17-13-23-11(24-14(18)27-13)7-1-3-9(21-5-7)10-4-2-8(6-22-10)12-25-15(19)28-16(20)26-12;2*1-2/h1-6H,(H4,17,18,23,24,27)(H4,19,20,25,26,28);2*2H,1H3
InChIKeyJZWFFLVHADTNEN-UHFFFAOYSA-N
MW438.46 g/mol
LogP-0.61
Rot. Bonds3

About 6-[6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3,5-triazine-2,4-diamine;methanol

6-[6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3,5-triazine-2,4-diamine;methanol (PubChem CID 139091709) has the molecular formula C18H22N12O2 and a molecular weight of 438.46 g/mol. Its IUPAC name is 6-[6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3,5-triazine-2,4-diamine;methanol.

Molecular Properties

Compound Name6-[6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3,5-triazine-2,4-diamine;methanol
PubChem CID139091709
Molecular FormulaC18H22N12O2
Molecular Weight438.46 g/mol
Exact Mass438.20
IUPAC Name6-[6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3,5-triazine-2,4-diamine;methanol
SMILESCO.CO.Nc1nc(N)nc(-c2ccc(-c3ccc(-c4nc(N)nc(N)n4)cn3)nc2)n1
InChIInChI=1S/C16H14N12.2CH4O/c17-13-23-11(24-14(18)27-13)7-1-3-9(21-5-7)10-4-2-8(6-22-10)12-25-15(19)28-16(20)26-12;2*1-2/h1-6H,(H4,17,18,23,24,27)(H4,19,20,25,26,28);2*2H,1H3
InChIKeyJZWFFLVHADTNEN-UHFFFAOYSA-N
XLogP-0.61
TPSA247.66 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500438.46
LogP ≤ 5-0.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 6-[6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3,5-triazine-2,4-diamine;methanol with MolForge

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Related Compounds

2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
CID 77258
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-4-yl)pyrimidin-4-amine
CID 4193543
4,6-Dimethyl-N'-(3-Pyridin-2-Ylisoquinolin-1-Yl)pyrimidine-2-Carboximidamide
CID 44363627
N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine
CID 56949104
6-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
CID 56949221
N-(4-methyl-2-pyridinyl)-6-(2-piperazin-1-yl-4-pyridinyl)pyridin-2-amine
CID 56949223
4-[4-(cyclopropylmethyl)-2-methoxypyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine
CID 67983896
N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 3262159
N',N'-dimethyl-N-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 3394401
4-Pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 3431450
N-benzyl-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 3507208

Frequently Asked Questions

What is the IUPAC name of 6-[6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3,5-triazine-2,4-diamine;methanol?
The IUPAC name of 6-[6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3,5-triazine-2,4-diamine;methanol (CID 139091709) is 6-[6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3,5-triazine-2,4-diamine;methanol.
What is the SMILES notation for 6-[6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3,5-triazine-2,4-diamine;methanol?
The canonical SMILES for 6-[6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3,5-triazine-2,4-diamine;methanol is CO.CO.Nc1nc(N)nc(-c2ccc(-c3ccc(-c4nc(N)nc(N)n4)cn3)nc2)n1.
What is the InChIKey of 6-[6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3,5-triazine-2,4-diamine;methanol?
The InChIKey is JZWFFLVHADTNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N12.2CH4O/c17-13-23-11(24-14(18)27-13)7-1-3-9(21-5-7)10-4-2-8(6-22-10)12-25-15(19)28-16(20)26-12;2*1-2/h1-6H,(H4,17,18,23,24,27)(H4,19,20,25,26,28);2*2H,1H3.
What are the key properties of 6-[6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3,5-triazine-2,4-diamine;methanol?
6-[6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3,5-triazine-2,4-diamine;methanol has a molecular weight of 438.46 g/mol, XLogP of -0.61, 3 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3,5-triazine-2,4-diamine;methanol is sourced from PubChem (CID 139091709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).