4-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine

C21H38N6O — CID 133418852

IUPAC4-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC1CN(CCC2CCN(c3nc(C(C)C)nc(N(C)C)n3)CC2)CC(C)O1
InChIInChI=1S/C21H38N6O/c1-15(2)19-22-20(25(5)6)24-21(23-19)27-11-8-18(9-12-27)7-10-26-13-16(3)28-17(4)14-26/h15-18H,7-14H2,1-6H3
InChIKeyYVSRMEBOMHAKRX-UHFFFAOYSA-N
MW390.58 g/mol
LogP2.78
Rot. Bonds6

About 4-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine

4-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 133418852) has the molecular formula C21H38N6O and a molecular weight of 390.58 g/mol. Its IUPAC name is 4-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID133418852
Molecular FormulaC21H38N6O
Molecular Weight390.58 g/mol
Exact Mass390.31
IUPAC Name4-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC1CN(CCC2CCN(c3nc(C(C)C)nc(N(C)C)n3)CC2)CC(C)O1
InChIInChI=1S/C21H38N6O/c1-15(2)19-22-20(25(5)6)24-21(23-19)27-11-8-18(9-12-27)7-10-26-13-16(3)28-17(4)14-26/h15-18H,7-14H2,1-6H3
InChIKeyYVSRMEBOMHAKRX-UHFFFAOYSA-N
XLogP2.78
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.58
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-ethylpyrrolidin-1-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133419484
4-[4-(cyclopentylmethoxy)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133419124
(2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 124890056
4-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338581
4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133418859
1-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 133421488
4-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133421235
4-[2-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338682
4-(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133421718
4-[2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338553
[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 133420809
3-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-1-ethylpyrazin-2-one
CID 124515157

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (CID 133418852) is 4-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is CC1CN(CCC2CCN(c3nc(C(C)C)nc(N(C)C)n3)CC2)CC(C)O1.
What is the InChIKey of 4-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is YVSRMEBOMHAKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N6O/c1-15(2)19-22-20(25(5)6)24-21(23-19)27-11-8-18(9-12-27)7-10-26-13-16(3)28-17(4)14-26/h15-18H,7-14H2,1-6H3.
What are the key properties of 4-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
4-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 390.58 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 133418852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).