4-[4-(azepan-1-yl)-6-(2,4-dimethylpyrimidin-5-yl)-1,3,5-triazin-2-yl]morpholine

C19H27N7O — CID 122592543

IUPAC4-[4-(azepan-1-yl)-6-(2,4-dimethylpyrimidin-5-yl)-1,3,5-triazin-2-yl]morpholine
SMILESCc1ncc(-c2nc(N3CCCCCC3)nc(N3CCOCC3)n2)c(C)n1
InChIInChI=1S/C19H27N7O/c1-14-16(13-20-15(2)21-14)17-22-18(25-7-5-3-4-6-8-25)24-19(23-17)26-9-11-27-12-10-26/h13H,3-12H2,1-2H3
InChIKeyKUWVAHNZLWDPOV-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.16
Rot. Bonds3

About 4-[4-(azepan-1-yl)-6-(2,4-dimethylpyrimidin-5-yl)-1,3,5-triazin-2-yl]morpholine

4-[4-(azepan-1-yl)-6-(2,4-dimethylpyrimidin-5-yl)-1,3,5-triazin-2-yl]morpholine (PubChem CID 122592543) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[4-(azepan-1-yl)-6-(2,4-dimethylpyrimidin-5-yl)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(azepan-1-yl)-6-(2,4-dimethylpyrimidin-5-yl)-1,3,5-triazin-2-yl]morpholine
PubChem CID122592543
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name4-[4-(azepan-1-yl)-6-(2,4-dimethylpyrimidin-5-yl)-1,3,5-triazin-2-yl]morpholine
SMILESCc1ncc(-c2nc(N3CCCCCC3)nc(N3CCOCC3)n2)c(C)n1
InChIInChI=1S/C19H27N7O/c1-14-16(13-20-15(2)21-14)17-22-18(25-7-5-3-4-6-8-25)24-19(23-17)26-9-11-27-12-10-26/h13H,3-12H2,1-2H3
InChIKeyKUWVAHNZLWDPOV-UHFFFAOYSA-N
XLogP2.16
TPSA80.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-(azepan-1-yl)-6-(2,4-dimethylpyrimidin-5-yl)-1,3,5-triazin-2-yl]morpholine with MolForge

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Related Compounds

5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyridin-2-amine
CID 58508310
2,4-dimethyl-5-piperidin-1-ylpyrimidine
CID 174735831
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
4-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 45133473
4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine
CID 3927094
4-[4-(5-fluoro-6-methyl-2-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58507773
4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 3631524
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 46202652
2-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-4-amine
CID 122592589
4-[4-morpholin-4-yl-6-(6-piperidin-1-yl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine
CID 58508085
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
4-(4,6-dimethyl-1,3,5-triazin-2-yl)morpholine;ethane
CID 159951324

Frequently Asked Questions

What is the IUPAC name of 4-[4-(azepan-1-yl)-6-(2,4-dimethylpyrimidin-5-yl)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(azepan-1-yl)-6-(2,4-dimethylpyrimidin-5-yl)-1,3,5-triazin-2-yl]morpholine (CID 122592543) is 4-[4-(azepan-1-yl)-6-(2,4-dimethylpyrimidin-5-yl)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(azepan-1-yl)-6-(2,4-dimethylpyrimidin-5-yl)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(azepan-1-yl)-6-(2,4-dimethylpyrimidin-5-yl)-1,3,5-triazin-2-yl]morpholine is Cc1ncc(-c2nc(N3CCCCCC3)nc(N3CCOCC3)n2)c(C)n1.
What is the InChIKey of 4-[4-(azepan-1-yl)-6-(2,4-dimethylpyrimidin-5-yl)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is KUWVAHNZLWDPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-14-16(13-20-15(2)21-14)17-22-18(25-7-5-3-4-6-8-25)24-19(23-17)26-9-11-27-12-10-26/h13H,3-12H2,1-2H3.
What are the key properties of 4-[4-(azepan-1-yl)-6-(2,4-dimethylpyrimidin-5-yl)-1,3,5-triazin-2-yl]morpholine?
4-[4-(azepan-1-yl)-6-(2,4-dimethylpyrimidin-5-yl)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 369.47 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azepan-1-yl)-6-(2,4-dimethylpyrimidin-5-yl)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 122592543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).