2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5,6-dimethoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol

C19H23N7O3 — CID 59548213

IUPAC2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5,6-dimethoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol
SMILESCOc1cc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cnc1OC
InChIInChI=1S/C19H23N7O3/c1-10-23-16(26-18(20)24-10)13-6-11(19(2,3)27)8-21-15(13)25-12-7-14(28-4)17(29-5)22-9-12/h6-9,27H,1-5H3,(H,21,25)(H2,20,23,24,26)
InChIKeyBGEXTJGOTZMOEE-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.21
Rot. Bonds6

About 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5,6-dimethoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol

2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5,6-dimethoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol (PubChem CID 59548213) has the molecular formula C19H23N7O3 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5,6-dimethoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5,6-dimethoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol
PubChem CID59548213
Molecular FormulaC19H23N7O3
Molecular Weight397.44 g/mol
Exact Mass397.19
IUPAC Name2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5,6-dimethoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol
SMILESCOc1cc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cnc1OC
InChIInChI=1S/C19H23N7O3/c1-10-23-16(26-18(20)24-10)13-6-11(19(2,3)27)8-21-15(13)25-12-7-14(28-4)17(29-5)22-9-12/h6-9,27H,1-5H3,(H,21,25)(H2,20,23,24,26)
InChIKeyBGEXTJGOTZMOEE-UHFFFAOYSA-N
XLogP2.21
TPSA141.19 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5,6-dimethoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5,6-dimethoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5,6-dimethoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol (CID 59548213) is 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5,6-dimethoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5,6-dimethoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5,6-dimethoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol is COc1cc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cnc1OC.
What is the InChIKey of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5,6-dimethoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol?
The InChIKey is BGEXTJGOTZMOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3/c1-10-23-16(26-18(20)24-10)13-6-11(19(2,3)27)8-21-15(13)25-12-7-14(28-4)17(29-5)22-9-12/h6-9,27H,1-5H3,(H,21,25)(H2,20,23,24,26).
What are the key properties of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5,6-dimethoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol?
2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5,6-dimethoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol has a molecular weight of 397.44 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5,6-dimethoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 59548213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).