4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C20H28N6O2 — CID 39847912

IUPAC4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(N3CCCCCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H28N6O2/c1-27-17-8-6-16(7-9-17)21-18-22-19(25-10-4-2-3-5-11-25)24-20(23-18)26-12-14-28-15-13-26/h6-9H,2-5,10-15H2,1H3,(H,21,22,23,24)
InChIKeyRIMUPTHCWPYIGG-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.84
Rot. Bonds5

About 4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 39847912) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID39847912
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(N3CCCCCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H28N6O2/c1-27-17-8-6-16(7-9-17)21-18-22-19(25-10-4-2-3-5-11-25)24-20(23-18)26-12-14-28-15-13-26/h6-9H,2-5,10-15H2,1H3,(H,21,22,23,24)
InChIKeyRIMUPTHCWPYIGG-UHFFFAOYSA-N
XLogP2.84
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-(4-chlorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477743
azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
CID 158450450
2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580364
2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580158
1-[4-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone
CID 42065578
2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580298
2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 3146893
2-N-(2-ethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477739
2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 45136690
4-methoxy-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 1273820
4-N-(4-methoxyphenyl)-6-morpholin-4-yl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 39847827
2-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 171978815

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 39847912) is 4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is COc1ccc(Nc2nc(N3CCCCCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is RIMUPTHCWPYIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-27-17-8-6-16(7-9-17)21-18-22-19(25-10-4-2-3-5-11-25)24-20(23-18)26-12-14-28-15-13-26/h6-9H,2-5,10-15H2,1H3,(H,21,22,23,24).
What are the key properties of 4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 384.48 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 39847912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).