4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

C20H24N8O — CID 59548196

IUPAC4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncc(CN3CCCC3)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C20H24N8O/c1-13-24-19(27-20(21)25-13)16-9-14(12-28-7-3-4-8-28)10-23-18(16)26-15-5-6-17(29-2)22-11-15/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H,23,26)(H2,21,24,25,27)
InChIKeyKPKRMMWVCSAMKZ-UHFFFAOYSA-N
MW392.47 g/mol
LogP2.57
Rot. Bonds6

About 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59548196) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID59548196
Molecular FormulaC20H24N8O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncc(CN3CCCC3)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C20H24N8O/c1-13-24-19(27-20(21)25-13)16-9-14(12-28-7-3-4-8-28)10-23-18(16)26-15-5-6-17(29-2)22-11-15/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H,23,26)(H2,21,24,25,27)
InChIKeyKPKRMMWVCSAMKZ-UHFFFAOYSA-N
XLogP2.57
TPSA114.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 59548196) is 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is COc1ccc(Nc2ncc(CN3CCCC3)cc2-c2nc(C)nc(N)n2)cn1.
What is the InChIKey of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is KPKRMMWVCSAMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O/c1-13-24-19(27-20(21)25-13)16-9-14(12-28-7-3-4-8-28)10-23-18(16)26-15-5-6-17(29-2)22-11-15/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H,23,26)(H2,21,24,25,27).
What are the key properties of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 392.47 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).