4-(azepan-1-yl)-6-methoxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]-1,3,5-triazin-2-amine

C16H27N5O2 — CID 124510374

IUPAC4-(azepan-1-yl)-6-methoxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(N(C)C[C@H]2CCOC2)nc(N2CCCCCC2)n1
InChIInChI=1S/C16H27N5O2/c1-20(11-13-7-10-23-12-13)14-17-15(19-16(18-14)22-2)21-8-5-3-4-6-9-21/h13H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyWJSLLDHHTFULIG-CYBMUJFWSA-N
MW321.43 g/mol
LogP1.73
Rot. Bonds5

About 4-(azepan-1-yl)-6-methoxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]-1,3,5-triazin-2-amine

4-(azepan-1-yl)-6-methoxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]-1,3,5-triazin-2-amine (PubChem CID 124510374) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6-methoxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-6-methoxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]-1,3,5-triazin-2-amine
PubChem CID124510374
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name4-(azepan-1-yl)-6-methoxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(N(C)C[C@H]2CCOC2)nc(N2CCCCCC2)n1
InChIInChI=1S/C16H27N5O2/c1-20(11-13-7-10-23-12-13)14-17-15(19-16(18-14)22-2)21-8-5-3-4-6-9-21/h13H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyWJSLLDHHTFULIG-CYBMUJFWSA-N
XLogP1.73
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(azepan-1-yl)-6-methoxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80819926
4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62864587
N-(cyclopropylmethyl)-4-hydrazinyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80899275
2-chloro-4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazine
CID 62869308
[4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80911950
4-chloro-N-(cyclobutylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62865237
3-[[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80833137
N-(cyclobutylmethyl)-4-hydrazinyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80905403
4-(azepan-1-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 133344704
2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine
CID 97044604
2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine
CID 71922518
2,4-dimethoxy-6-[4-(oxan-4-yl)piperazin-1-yl]-1,3,5-triazine
CID 50956205

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6-methoxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-6-methoxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]-1,3,5-triazin-2-amine (CID 124510374) is 4-(azepan-1-yl)-6-methoxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-6-methoxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-6-methoxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]-1,3,5-triazin-2-amine is COc1nc(N(C)C[C@H]2CCOC2)nc(N2CCCCCC2)n1.
What is the InChIKey of 4-(azepan-1-yl)-6-methoxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]-1,3,5-triazin-2-amine?
The InChIKey is WJSLLDHHTFULIG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-20(11-13-7-10-23-12-13)14-17-15(19-16(18-14)22-2)21-8-5-3-4-6-9-21/h13H,3-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-(azepan-1-yl)-6-methoxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]-1,3,5-triazin-2-amine?
4-(azepan-1-yl)-6-methoxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]-1,3,5-triazin-2-amine has a molecular weight of 321.43 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-6-methoxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 124510374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).