N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine

C16H22N6OS — CID 134708604

IUPACN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NCc2cn3c(n2)SCC3)nc(N2CCOCC2)n1
InChIInChI=1S/C16H22N6OS/c1-2-12-9-14(20-15(18-12)21-3-6-23-7-4-21)17-10-13-11-22-5-8-24-16(22)19-13/h9,11H,2-8,10H2,1H3,(H,17,18,20)
InChIKeyDTNIWUTWTDGORI-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.79
Rot. Bonds5

About N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine

N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 134708604) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID134708604
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NCc2cn3c(n2)SCC3)nc(N2CCOCC2)n1
InChIInChI=1S/C16H22N6OS/c1-2-12-9-14(20-15(18-12)21-3-6-23-7-4-21)17-10-13-11-22-5-8-24-16(22)19-13/h9,11H,2-8,10H2,1H3,(H,17,18,20)
InChIKeyDTNIWUTWTDGORI-UHFFFAOYSA-N
XLogP1.79
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 135108999
6-ethyl-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 50967293
6-ethyl-2-morpholin-4-yl-N-[(1-phenyltetrazol-5-yl)methyl]pyrimidin-4-amine
CID 135096076
6-ethyl-2-morpholin-4-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 50979486
6-ethyl-2-morpholin-4-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 50969465
3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N-(4-methylphenyl)propanamide
CID 134706732
6-ethyl-2-morpholin-4-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-4-amine
CID 134698488
(4R)-1-(2,2-dimethylpropyl)-4-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 95712474
(2S)-2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-2-phenylacetamide
CID 135106210
4-[4-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholine
CID 39756782
6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 50957093
6-methyl-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112912256

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine (CID 134708604) is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine is CCc1cc(NCc2cn3c(n2)SCC3)nc(N2CCOCC2)n1.
What is the InChIKey of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is DTNIWUTWTDGORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-2-12-9-14(20-15(18-12)21-3-6-23-7-4-21)17-10-13-11-22-5-8-24-16(22)19-13/h9,11H,2-8,10H2,1H3,(H,17,18,20).
What are the key properties of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine?
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 346.46 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 134708604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).