N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine

C19H28N8O3 — CID 172902625

IUPACN-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1nc(OC)nc(N2CCCC(N(C)c3ccnc(N4CCOCC4)n3)C2)n1
InChIInChI=1S/C19H28N8O3/c1-25(15-6-7-20-16(21-15)26-9-11-30-12-10-26)14-5-4-8-27(13-14)17-22-18(28-2)24-19(23-17)29-3/h6-7,14H,4-5,8-13H2,1-3H3
InChIKeyJACWQTYDTHFQJM-UHFFFAOYSA-N
MW416.49 g/mol
LogP0.62
Rot. Bonds6

About N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine

N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 172902625) has the molecular formula C19H28N8O3 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID172902625
Molecular FormulaC19H28N8O3
Molecular Weight416.49 g/mol
Exact Mass416.23
IUPAC NameN-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1nc(OC)nc(N2CCCC(N(C)c3ccnc(N4CCOCC4)n3)C2)n1
InChIInChI=1S/C19H28N8O3/c1-25(15-6-7-20-16(21-15)26-9-11-30-12-10-26)14-5-4-8-27(13-14)17-22-18(28-2)24-19(23-17)29-3/h6-7,14H,4-5,8-13H2,1-3H3
InChIKeyJACWQTYDTHFQJM-UHFFFAOYSA-N
XLogP0.62
TPSA101.86 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.49
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172900263
N-[1-(6-tert-butylpyridazin-3-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 175650502
N-methyl-N-[1-(6-methyl-2-pyridinyl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175649208
4-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]morpholine
CID 172905606
N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172892228
N-methyl-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172903124
2-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile
CID 172903029
N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172893196
N-methyl-2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172901831
N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172900137
N-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902892
N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172901800

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 172902625) is N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine is COc1nc(OC)nc(N2CCCC(N(C)c3ccnc(N4CCOCC4)n3)C2)n1.
What is the InChIKey of N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is JACWQTYDTHFQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N8O3/c1-25(15-6-7-20-16(21-15)26-9-11-30-12-10-26)14-5-4-8-27(13-14)17-22-18(28-2)24-19(23-17)29-3/h6-7,14H,4-5,8-13H2,1-3H3.
What are the key properties of N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 416.49 g/mol, XLogP of 0.62, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 172902625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).